pyprocar
pyprocar copied to clipboard
romerogroup
dos for elk not working
I am trying to plot the dos for elk. I have the proper files: cohen@tomcat:/home/beegfs/rcohen/ELK/PTO/Yangzheng/EDOS/R3c/110GPa/LMIREP$ ls -ltr DOS -rw-r--r-- 1 rcohen tomcat 342 Mar 2 23:12 FERMIDOS.OUT -rw-r--r-- 1 rcohen tomcat 14802 Mar 2 23:30 TDOS.OUT -rw-r--r-- 1 rcohen tomcat 236832 Mar 2 23:31 PDOS_S01_A0001.OUT -rw-r--r-- 1 rcohen tomcat 236832 Mar 2 23:32 PDOS_S01_A0002.OUT -rw-r--r-- 1 rcohen tomcat 236832 Mar 2 23:33 PDOS_S02_A0001.OUT -rw-r--r-- 1 rcohen tomcat 236832 Mar 2 23:33 PDOS_S02_A0002.OUT -rw-r--r-- 1 rcohen tomcat 236832 Mar 2 23:34 PDOS_S03_A0001.OUT -rw-r--r-- 1 rcohen tomcat 236832 Mar 2 23:35 PDOS_S03_A0002.OUT -rw-r--r-- 1 rcohen tomcat 236832 Mar 2 23:36 PDOS_S03_A0003.OUT -rw-r--r-- 1 rcohen tomcat 236832 Mar 2 23:37 PDOS_S03_A0004.OUT -rw-r--r-- 1 rcohen tomcat 236832 Mar 2 23:38 PDOS_S03_A0005.OUT -rw-r--r-- 1 rcohen tomcat 236832 Mar 2 23:38 PDOS_S03_A0006.OUT -rw-r--r-- 1 rcohen tomcat 14802 Mar 2 23:38 IDOS.OUT
I can plot bands but for dos I get:
pyprocar.dosplot(elimit=[-3,3],code='elk')
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __
| |) | | | | |) | '__/ _ \ / / _` | '|
| __/| || | /| | | () | (| (| | |
|| _, || |_| _/ __,||
|/
A Python library for electronic structure pre/post-processing.
...
cript initiated
code : elk
vasprun file : vasprun.xml
mode : plain
spin : None
atoms list : None
orbs. list : None
energy range : [-3, 3]
eolormap : jet
vmax : None
vmin : None
grid enabled : True
savefig : None
title : None
Traceback (most recent call last):
File "
I have tried different options first too, but this most basic form also does run. What am I doing wrong?
I am also interested whether it is possible to plot fatbands, rather than coded bands. For bands I have a different problem that some seem to belong to no atom! But that is a different issue.
Thank you!
Ron
No problem! I am doing another elk run and then will upload the files.
Sincerely,
Ron
On Mar 3, 2021, at 11:34 AM, Pedram Tavadze [email protected] wrote:
Hi Ron,
Would you mind sharing your calculations with us?
Pedram
— You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-789852270, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABA2R5LAOBHOZVOZF5PRGITTBZQHXANCNFSM4YQDCDQQ.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
Here are the files I think you need. If more, please let me know. The file was >10MB so here is a dropbox link: https://www.dropbox.com/s/9fw33j6hu9ooq7c/cohendata.tar.gz?dl=0
Even worse, it seems the bandplot is incorrect. I attach here the bands from elk-bands (pdf) and also from pyprocar (png file) with Ti colors. I don't understand how the bands can be totally different.
elk-bands.pdf
Dear Ronald,
Can you try plotting again with "kdirect=False" in the pyprocar.bandsplot please? Also set the energy limits with elimit=[emin,emax] for an easier comparison.
Thanks,
Best, Uthpala
On Wed, Mar 3, 2021 at 1:35 PM Ronald Cohen [email protected] wrote:
Even worse, it seems the bandplot is incorrect. I attach here the bands from elk-bands (pdf) and also from pyprocar (png file) with Ti colors. I don't understand how the bands can be totally different. elk-bands.pdf https://github.com/romerogroup/pyprocar/files/6078313/elk-bands.pdf [image: bandplotTi] https://user-images.githubusercontent.com/4303093/109854599-3a60f900-7c25-11eb-9864-7160fc713b4e.png
— You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-789962818, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMKTC73UYUOFSEK6YYTTBZ6N5ANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
I tried this and I got: pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
... Elk non spin calculation detected.
Traceback (most recent call last):
File "
I then tried ln -s BAND.OUT BANDS.OUT and get:
Traceback (most recent call last):
File "
OK--it seems it depends what the task is in elk.in! I had changed it t o get the dos. Now I changed it back to 22 and get a plot. You can see it here without kdirect=False, and there are extra bands!
I also tried adding kdirect=False and get this error:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Traceback (most recent call last):
File "
Just to confirm we are comparing elk-bands.pdf and the plot you got with kdirect=False, yes?
On Wed, Mar 3, 2021 at 2:06 PM Ronald Cohen [email protected] wrote:
The bands actually look totally different!
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-789982338, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMPC4IRWY2MGM5LTOBDTB2CB5ANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
No--with kdirect=False it crashes with IndexError: list index out of range It runs without kdirect=False
Okay thanks for the information. I'll check the calculation and update you.
- Uthpala
On Wed, Mar 3, 2021 at 2:17 PM Ronald Cohen [email protected] wrote:
No--with kdirect=False it crashes with IndexError: list index out of range It runs without kdirect=False
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-789990019, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMKFX6UB2IVIPOAMAADTB2DOPANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
Dear Ronald,
Do you have the output data of the band structure calculation you ran with tasks: 22? If so please send them to me and I can try and figure out what's going on.
I tried to run the calculation with your elk.in but the xc types you used weren't available in my system.
Thank you,
Best regards, Uthpala
On Wed, Mar 3, 2021 at 2:24 PM Uthpala Herath [email protected] wrote:
Okay thanks for the information. I'll check the calculation and update you.
- Uthpala
On Wed, Mar 3, 2021 at 2:17 PM Ronald Cohen [email protected] wrote:
No--with kdirect=False it crashes with IndexError: list index out of range It runs without kdirect=False
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-789990019, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMKFX6UB2IVIPOAMAADTB2DOPANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
In the meantime, I fixed the issue with kdirect=False. With this the k-path would be in cartesian coordinates.
On Fri, Mar 5, 2021 at 8:22 AM Uthpala Herath [email protected] wrote:
Dear Ronald,
Do you have the output data of the band structure calculation you ran with tasks: 22? If so please send them to me and I can try and figure out what's going on.
I tried to run the calculation with your elk.in but the xc types you used weren't available in my system.
Thank you,
Best regards, Uthpala
On Wed, Mar 3, 2021 at 2:24 PM Uthpala Herath [email protected] wrote:
Okay thanks for the information. I'll check the calculation and update you.
- Uthpala
On Wed, Mar 3, 2021 at 2:17 PM Ronald Cohen [email protected] wrote:
No--with kdirect=False it crashes with IndexError: list index out of range It runs without kdirect=False
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-789990019, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMKFX6UB2IVIPOAMAADTB2DOPANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
Sorry—I just so this.I sent all the files to you in a dropbox link a couple days ago,
Sincerely,
Ron
On Mar 5, 2021, at 12:30 PM, Uthpala Herath [email protected] wrote:
In the meantime, I fixed the issue with kdirect=False. With this the k-path would be in cartesian coordinates.
On Fri, Mar 5, 2021 at 8:22 AM Uthpala Herath [email protected] wrote:
Dear Ronald,
Do you have the output data of the band structure calculation you ran with tasks: 22? If so please send them to me and I can try and figure out what's going on.
I tried to run the calculation with your elk.in but the xc types you used weren't available in my system.
Thank you,
Best regards, Uthpala
On Wed, Mar 3, 2021 at 2:24 PM Uthpala Herath [email protected] wrote:
Okay thanks for the information. I'll check the calculation and update you.
- Uthpala
On Wed, Mar 3, 2021 at 2:17 PM Ronald Cohen [email protected] wrote:
No--with kdirect=False it crashes with IndexError: list index out of range It runs without kdirect=False
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-789990019, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMKFX6UB2IVIPOAMAADTB2DOPANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791567932, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABA2R5NTV33ZJD6VGUFUDLDTCEIMVANCNFSM4YQDCDQQ.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
Dear Ron,
I plot the band structure based on the calculated data you provided. A comparison between PyProcar's bands and the ones you provided are attached. They seem to be pretty much similar, however, since your calculation directory didn't have EFERMI.OUT and LATTICE.out (to get the reciprocal lattice vectors for converting from reduced to cartesian coordinates) I copied them from a calculation I did with a different set of xctypes. This probably explains the shift in Fermi energy. I can't seem to find many differences including the extra bands you mentioned, otherwise. Please correct me if I'm wrong.
Thank you,
Best regards, Uthpala
On Fri, Mar 5, 2021 at 1:42 PM Ronald Cohen [email protected] wrote:
Sorry—I just so this.I sent all the files to you in a dropbox link a couple days ago,
Sincerely,
Ron
On Mar 5, 2021, at 12:30 PM, Uthpala Herath [email protected] wrote:
In the meantime, I fixed the issue with kdirect=False. With this the k-path would be in cartesian coordinates.
On Fri, Mar 5, 2021 at 8:22 AM Uthpala Herath [email protected] wrote:
Dear Ronald,
Do you have the output data of the band structure calculation you ran with tasks: 22? If so please send them to me and I can try and figure out what's going on.
I tried to run the calculation with your elk.in but the xc types you used weren't available in my system.
Thank you,
Best regards, Uthpala
On Wed, Mar 3, 2021 at 2:24 PM Uthpala Herath [email protected] wrote:
Okay thanks for the information. I'll check the calculation and update you.
- Uthpala
On Wed, Mar 3, 2021 at 2:17 PM Ronald Cohen <[email protected]
wrote:
No--with kdirect=False it crashes with IndexError: list index out of range It runs without kdirect=False
— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-789990019>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3ZXMKFX6UB2IVIPOAMAADTB2DOPANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791567932>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/ABA2R5NTV33ZJD6VGUFUDLDTCEIMVANCNFSM4YQDCDQQ .
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791608138, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMNFY5K34EIQUPHXPF3TCEQYJANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen [email protected] wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
I didn’t get any attachments—now either. I tried your new version on gitup and get this:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Fermi energy : 0.4962075012 eV (from Elk output)
Traceback (most recent call last):
File "
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Ron
On Mar 5, 2021, at 3:39 PM, Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen [email protected] wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
You seem to be using an out-dated version of PyProcar (5.5.2). Please update to the current version (5.6.3) and give it another try.
Here's the link to the images: https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing
- Uthpala
On Fri, Mar 5, 2021 at 4:39 PM Ronald Cohen [email protected] wrote:
I didn’t get any attachments—now either. I tried your new version on gitup and get this:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Fermi energy : 0.4962075012 eV (from Elk output) Traceback (most recent call last): File "
", line 1, in File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/scriptBandsplot.py", line 326, in bandsplot data = ProcarSelect(procarFile, deepCopy=True, mode=mode) File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py", line 57, in init self.setData(ProcarData, deepCopy) File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py", line 74, in setData self.spd = ProcarData.spd.copy() AttributeError: 'NoneType' object has no attribute 'copy' pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Ron
On Mar 5, 2021, at 3:39 PM, Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen [email protected] wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ .
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
I got this from git hub. Just now: git pull https://github.com/romerogroup/pyprocar.git https://github.com/romerogroup/pyprocar.git Can you please put the current version on github?
Ron
On Mar 5, 2021, at 5:23 PM, Uthpala Herath [email protected] wrote:
You seem to be using an out-dated version of PyProcar (5.5.2). Please update to the current version (5.6.3) and give it another try.
Here's the link to the images: https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing
- Uthpala
On Fri, Mar 5, 2021 at 4:39 PM Ronald Cohen [email protected] wrote:
I didn’t get any attachments—now either. I tried your new version on gitup and get this:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Fermi energy : 0.4962075012 eV (from Elk output) Traceback (most recent call last): File "
", line 1, in File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/scriptBandsplot.py", line 326, in bandsplot data = ProcarSelect(procarFile, deepCopy=True, mode=mode) File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py", line 57, in init self.setData(ProcarData, deepCopy) File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py", line 74, in setData self.spd = ProcarData.spd.copy() AttributeError: 'NoneType' object has no attribute 'copy' pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Ron
On Mar 5, 2021, at 3:39 PM, Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen [email protected] wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ .
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791750210, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABA2R5K4GYIXD52L6TR25CLTCFKWZANCNFSM4YQDCDQQ.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
and conda
On Mar 5, 2021, at 5:23 PM, Uthpala Herath [email protected] wrote:
You seem to be using an out-dated version of PyProcar (5.5.2). Please update to the current version (5.6.3) and give it another try.
Here's the link to the images: https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing
- Uthpala
On Fri, Mar 5, 2021 at 4:39 PM Ronald Cohen [email protected] wrote:
I didn’t get any attachments—now either. I tried your new version on gitup and get this:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Fermi energy : 0.4962075012 eV (from Elk output) Traceback (most recent call last): File "
", line 1, in File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/scriptBandsplot.py", line 326, in bandsplot data = ProcarSelect(procarFile, deepCopy=True, mode=mode) File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py", line 57, in init self.setData(ProcarData, deepCopy) File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py", line 74, in setData self.spd = ProcarData.spd.copy() AttributeError: 'NoneType' object has no attribute 'copy' pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Ron
On Mar 5, 2021, at 3:39 PM, Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen [email protected] wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ .
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791750210, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABA2R5K4GYIXD52L6TR25CLTCFKWZANCNFSM4YQDCDQQ.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
I just reinstalled from conda and got the same error.
On Mar 5, 2021, at 5:23 PM, Uthpala Herath [email protected] wrote:
You seem to be using an out-dated version of PyProcar (5.5.2). Please update to the current version (5.6.3) and give it another try.
Here's the link to the images: https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing
- Uthpala
On Fri, Mar 5, 2021 at 4:39 PM Ronald Cohen [email protected] wrote:
I didn’t get any attachments—now either. I tried your new version on gitup and get this:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Fermi energy : 0.4962075012 eV (from Elk output) Traceback (most recent call last): File "
", line 1, in File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/scriptBandsplot.py", line 326, in bandsplot data = ProcarSelect(procarFile, deepCopy=True, mode=mode) File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py", line 57, in init self.setData(ProcarData, deepCopy) File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py", line 74, in setData self.spd = ProcarData.spd.copy() AttributeError: 'NoneType' object has no attribute 'copy' pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Ron
On Mar 5, 2021, at 3:39 PM, Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen [email protected] wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ .
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791750210, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABA2R5K4GYIXD52L6TR25CLTCFKWZANCNFSM4YQDCDQQ.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
Yes, that is the current version. If you go to setup.json you can see that the version is 5.6.3.
The conda version is out-dated. Please install with either setup.py on github or pip with pip install pyprocar --upgrade.
Thanks
On Fri, Mar 5, 2021 at 5:26 PM Ronald Cohen [email protected] wrote:
I got this from git hub. Just now: git pull https://github.com/romerogroup/pyprocar.git < https://github.com/romerogroup/pyprocar.git> Can you please put the current version on github?
Ron
On Mar 5, 2021, at 5:23 PM, Uthpala Herath [email protected] wrote:
You seem to be using an out-dated version of PyProcar (5.5.2). Please update to the current version (5.6.3) and give it another try.
Here's the link to the images:
https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing
https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing
- Uthpala
On Fri, Mar 5, 2021 at 4:39 PM Ronald Cohen [email protected] wrote:
I didn’t get any attachments—now either. I tried your new version on gitup and get this:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Fermi energy : 0.4962075012 eV (from Elk output) Traceback (most recent call last): File "
", line 1, in File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/scriptBandsplot.py",
line 326, in bandsplot data = ProcarSelect(procarFile, deepCopy=True, mode=mode) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 57, in init self.setData(ProcarData, deepCopy) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 74, in setData self.spd = ProcarData.spd.copy() AttributeError: 'NoneType' object has no attribute 'copy'
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Ron
On Mar 5, 2021, at 3:39 PM, Uthpala Herath <[email protected]
wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen < [email protected]> wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ
.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791750210>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/ABA2R5K4GYIXD52L6TR25CLTCFKWZANCNFSM4YQDCDQQ .
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791752068, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMLOWEH33PRURLI5I4LTCFLBPANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
Thank you so much. I finally got the latest version installed.
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.6.3 created on Mar 5th, 2021
Please cite: Uthpala Herath, Pedram Tavadze, Xu He, Eric Bousquet, Sobhit Singh, Francisco Muñoz and Aldo Romero., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080. ..
knames : ['$L$', '$\Gamma$', '$F$', '$L$', '$Z$', '$\Gamma$', '$M$'] kticks : [0, 46, 101, 148, 203, 253, 299] Fermi energy : 0.4446091604 eV (from Elk output) spd shape : (300, 251, 1, 11, 18) [kpoints, bands, spins, atoms+1, orbitals+2] normalizing to : (0.0, 0.9204) (<Figure size 1400x950 with 2 Axes>, <AxesSubplot:ylabel='$E-E_f$ [eV]'>)
Now it looks ok! Thank you!
the correct band a structure is:
Sincerely,
Ron
On Mar 5, 2021, at 5:31 PM, Uthpala Herath [email protected] wrote:
Yes, that is the current version. If you go to setup.json you can see that the version is 5.6.3.
The conda version is out-dated. Please install with either setup.py on github or pip with pip install pyprocar --upgrade.
Thanks
On Fri, Mar 5, 2021 at 5:26 PM Ronald Cohen [email protected] wrote:
I got this from git hub. Just now: git pull https://github.com/romerogroup/pyprocar.git < https://github.com/romerogroup/pyprocar.git> Can you please put the current version on github?
Ron
On Mar 5, 2021, at 5:23 PM, Uthpala Herath [email protected] wrote:
You seem to be using an out-dated version of PyProcar (5.5.2). Please update to the current version (5.6.3) and give it another try.
Here's the link to the images:
https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing
https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing
- Uthpala
On Fri, Mar 5, 2021 at 4:39 PM Ronald Cohen [email protected] wrote:
I didn’t get any attachments—now either. I tried your new version on gitup and get this:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Fermi energy : 0.4962075012 eV (from Elk output) Traceback (most recent call last): File "
", line 1, in File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/scriptBandsplot.py",
line 326, in bandsplot data = ProcarSelect(procarFile, deepCopy=True, mode=mode) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 57, in init self.setData(ProcarData, deepCopy) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 74, in setData self.spd = ProcarData.spd.copy() AttributeError: 'NoneType' object has no attribute 'copy'
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Ron
On Mar 5, 2021, at 3:39 PM, Uthpala Herath <[email protected]
wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath [email protected] wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen < [email protected]> wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ
.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791750210>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/ABA2R5K4GYIXD52L6TR25CLTCFKWZANCNFSM4YQDCDQQ .
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791752068, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMLOWEH33PRURLI5I4LTCFLBPANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791758596, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABA2R5NUJ7I3VLVVQQ6FKSDTCFLUVANCNFSM4YQDCDQQ.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
Ron,
Just wanted to let you know, we're working on the debugging of DOS for elk. It should be done soon.
Pedram
On Mon, Mar 8, 2021 at 12:07 PM Ronald Cohen [email protected] wrote:
Thank you so much. I finally got the latest version installed.
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.6.3 created on Mar 5th, 2021
Please cite: Uthpala Herath, Pedram Tavadze, Xu He, Eric Bousquet, Sobhit Singh, Francisco Muñoz and Aldo Romero., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080. ..
knames : ['$L$', '$\Gamma$', '$F$', '$L$', '$Z$', '$\Gamma$', '$M$'] kticks : [0, 46, 101, 148, 203, 253, 299] Fermi energy : 0.4446091604 eV (from Elk output) spd shape : (300, 251, 1, 11, 18) [kpoints, bands, spins, atoms+1, orbitals+2] normalizing to : (0.0, 0.9204) (<Figure size 1400x950 with 2 Axes>, <AxesSubplot:ylabel='$E-E_f$ [eV]'>)
Now it looks ok! Thank you!
the correct band a structure is:
Sincerely,
Ron
On Mar 5, 2021, at 5:31 PM, Uthpala Herath [email protected] wrote:
Yes, that is the current version. If you go to setup.json you can see that the version is 5.6.3.
The conda version is out-dated. Please install with either setup.py on github or pip with pip install pyprocar --upgrade.
Thanks
On Fri, Mar 5, 2021 at 5:26 PM Ronald Cohen [email protected] wrote:
I got this from git hub. Just now: git pull https://github.com/romerogroup/pyprocar.git < https://github.com/romerogroup/pyprocar.git> Can you please put the current version on github?
Ron
On Mar 5, 2021, at 5:23 PM, Uthpala Herath <[email protected]
wrote:
You seem to be using an out-dated version of PyProcar (5.5.2). Please update to the current version (5.6.3) and give it another try.
Here's the link to the images:
https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing
https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing
- Uthpala
On Fri, Mar 5, 2021 at 4:39 PM Ronald Cohen < [email protected]> wrote:
I didn’t get any attachments—now either. I tried your new version on gitup and get this:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Fermi energy : 0.4962075012 eV (from Elk output) Traceback (most recent call last): File "
", line 1, in File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/scriptBandsplot.py",
line 326, in bandsplot data = ProcarSelect(procarFile, deepCopy=True, mode=mode) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 57, in init self.setData(ProcarData, deepCopy) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 74, in setData self.spd = ProcarData.spd.copy() AttributeError: 'NoneType' object has no attribute 'copy'
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Ron
On Mar 5, 2021, at 3:39 PM, Uthpala Herath < [email protected]
wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath < [email protected]> wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen < [email protected]> wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ
.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791750210>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/ABA2R5K4GYIXD52L6TR25CLTCFKWZANCNFSM4YQDCDQQ
.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791752068>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3ZXMLOWEH33PRURLI5I4LTCFLBPANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791758596>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/ABA2R5NUJ7I3VLVVQQ6FKSDTCFLUVANCNFSM4YQDCDQQ .
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-792907346, or unsubscribe https://github.com/notifications/unsubscribe-auth/AHBQJCI2VI7LX46TYWIIKK3TCT75JANCNFSM4YQDCDQQ .
No problem. Just to sum up, it worked when you set kdirect=False and you got wrong bands when you didn't?
- Uthpala
On Mon, Mar 8, 2021 at 12:07 PM Ronald Cohen [email protected] wrote:
Thank you so much. I finally got the latest version installed.
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.6.3 created on Mar 5th, 2021
Please cite: Uthpala Herath, Pedram Tavadze, Xu He, Eric Bousquet, Sobhit Singh, Francisco Muñoz and Aldo Romero., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080. ..
knames : ['$L$', '$\Gamma$', '$F$', '$L$', '$Z$', '$\Gamma$', '$M$'] kticks : [0, 46, 101, 148, 203, 253, 299] Fermi energy : 0.4446091604 eV (from Elk output) spd shape : (300, 251, 1, 11, 18) [kpoints, bands, spins, atoms+1, orbitals+2] normalizing to : (0.0, 0.9204) (<Figure size 1400x950 with 2 Axes>, <AxesSubplot:ylabel='$E-E_f$ [eV]'>)
Now it looks ok! Thank you!
the correct band a structure is:
Sincerely,
Ron
On Mar 5, 2021, at 5:31 PM, Uthpala Herath [email protected] wrote:
Yes, that is the current version. If you go to setup.json you can see that the version is 5.6.3.
The conda version is out-dated. Please install with either setup.py on github or pip with pip install pyprocar --upgrade.
Thanks
On Fri, Mar 5, 2021 at 5:26 PM Ronald Cohen [email protected] wrote:
I got this from git hub. Just now: git pull https://github.com/romerogroup/pyprocar.git < https://github.com/romerogroup/pyprocar.git> Can you please put the current version on github?
Ron
On Mar 5, 2021, at 5:23 PM, Uthpala Herath <[email protected]
wrote:
You seem to be using an out-dated version of PyProcar (5.5.2). Please update to the current version (5.6.3) and give it another try.
Here's the link to the images:
https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing
https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing
- Uthpala
On Fri, Mar 5, 2021 at 4:39 PM Ronald Cohen < [email protected]> wrote:
I didn’t get any attachments—now either. I tried your new version on gitup and get this:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Fermi energy : 0.4962075012 eV (from Elk output) Traceback (most recent call last): File "
", line 1, in File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/scriptBandsplot.py",
line 326, in bandsplot data = ProcarSelect(procarFile, deepCopy=True, mode=mode) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 57, in init self.setData(ProcarData, deepCopy) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 74, in setData self.spd = ProcarData.spd.copy() AttributeError: 'NoneType' object has no attribute 'copy'
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Ron
On Mar 5, 2021, at 3:39 PM, Uthpala Herath < [email protected]
wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath < [email protected]> wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen < [email protected]> wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ
.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791750210>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/ABA2R5K4GYIXD52L6TR25CLTCFKWZANCNFSM4YQDCDQQ
.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791752068>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3ZXMLOWEH33PRURLI5I4LTCFLBPANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791758596>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/ABA2R5NUJ7I3VLVVQQ6FKSDTCFLUVANCNFSM4YQDCDQQ .
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-792907346, or unsubscribe https://github.com/notifications/unsubscribe-auth/AG3ZXMKZZRSLJKAVYVTOPNLTCT75JANCNFSM4YQDCDQQ .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] [email protected] Website: https://uthpalaherath.github.io/
However, I am not sure about the color shading . The attached dos shows that lowest conduction bands are Ti 3d,, but these are not shaded showing atom type 2. Is this just the color map? How to change the colormap? Thanks!
Ron
On Mar 8, 2021, at 12:07 PM, Ronald Cohen [email protected] wrote:
Thank you so much. I finally got the latest version installed.
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.6.3 created on Mar 5th, 2021
Please cite: Uthpala Herath, Pedram Tavadze, Xu He, Eric Bousquet, Sobhit Singh, Francisco Muñoz and Aldo Romero., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080. ..
knames : ['$L$', '$\Gamma$', '$F$', '$L$', '$Z$', '$\Gamma$', '$M$'] kticks : [0, 46, 101, 148, 203, 253, 299] Fermi energy : 0.4446091604 eV (from Elk output) spd shape : (300, 251, 1, 11, 18) [kpoints, bands, spins, atoms+1, orbitals+2] normalizing to : (0.0, 0.9204) (<Figure size 1400x950 with 2 Axes>, <AxesSubplot:ylabel='$E-E_f$ [eV]'>)
Now it looks ok! Thank you!
<PastedGraphic-1.png> the correct band a structure is:
<elk-bands.pdf>
Sincerely,
Ron
On Mar 5, 2021, at 5:31 PM, Uthpala Herath <[email protected] mailto:[email protected]> wrote:
Yes, that is the current version. If you go to setup.json you can see that the version is 5.6.3.
The conda version is out-dated. Please install with either setup.py on github or pip with pip install pyprocar --upgrade.
Thanks
On Fri, Mar 5, 2021 at 5:26 PM Ronald Cohen <[email protected] mailto:[email protected]> wrote:
I got this from git hub. Just now: git pull https://github.com/romerogroup/pyprocar.git https://github.com/romerogroup/pyprocar.git < https://github.com/romerogroup/pyprocar.git https://github.com/romerogroup/pyprocar.git> Can you please put the current version on github?
Ron
On Mar 5, 2021, at 5:23 PM, Uthpala Herath <[email protected] mailto:[email protected]> wrote:
You seem to be using an out-dated version of PyProcar (5.5.2). Please update to the current version (5.6.3) and give it another try.
Here's the link to the images:
https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing
https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing
- Uthpala
On Fri, Mar 5, 2021 at 4:39 PM Ronald Cohen <[email protected] mailto:[email protected]> wrote:
I didn’t get any attachments—now either. I tried your new version on gitup and get this:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Fermi energy : 0.4962075012 eV (from Elk output) Traceback (most recent call last): File "
", line 1, in File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/scriptBandsplot.py",
line 326, in bandsplot data = ProcarSelect(procarFile, deepCopy=True, mode=mode) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 57, in init self.setData(ProcarData, deepCopy) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 74, in setData self.spd = ProcarData.spd.copy() AttributeError: 'NoneType' object has no attribute 'copy'
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Ron
On Mar 5, 2021, at 3:39 PM, Uthpala Herath <[email protected] mailto:[email protected]
wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath <[email protected] mailto:[email protected]> wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen < [email protected] mailto:[email protected]> wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618 https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] mailto:[email protected] <[email protected] mailto:[email protected]> Website: https://uthpalaherath.github.io/ https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] mailto:[email protected] <[email protected] mailto:[email protected]> Website: https://uthpalaherath.github.io/ https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421 https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ
.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] <mailto:[email protected] mailto:[email protected]> office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504 https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] mailto:[email protected] <[email protected] mailto:[email protected]> Website: https://uthpalaherath.github.io/ https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791750210 https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791750210>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/ABA2R5K4GYIXD52L6TR25CLTCFKWZANCNFSM4YQDCDQQ https://github.com/notifications/unsubscribe-auth/ABA2R5K4GYIXD52L6TR25CLTCFKWZANCNFSM4YQDCDQQ .
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] <mailto:[email protected] mailto:[email protected]> office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub <https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791752068 https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791752068>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AG3ZXMLOWEH33PRURLI5I4LTCFLBPANCNFSM4YQDCDQQ https://github.com/notifications/unsubscribe-auth/AG3ZXMLOWEH33PRURLI5I4LTCFLBPANCNFSM4YQDCDQQ> .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] mailto:[email protected] <[email protected] mailto:[email protected]> Website: https://uthpalaherath.github.io/ https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791758596, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABA2R5NUJ7I3VLVVQQ6FKSDTCFLUVANCNFSM4YQDCDQQ.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
Often (usually) when I do the import it hangs, and ps shows a huge mess. Do you know what it is trying to compile and why, and why the command line is so long:
55541 pts/18 R+ 0:02 ld /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o --eh-frame-hdr --build-id -dynamic-linker /lib64/ld-linux-x86-64.so.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64 -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64 -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64 -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64 -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64 -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../.. -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -o /tmp/tmpstmq5sxn -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64/ -L/usr/lib/../lib64/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib/ -L/usr/lib/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/ -L/lib/../lib64/../lib64 -L/lib/../lib64/../lib64/ -L/usr/lib/../lib64/../lib64 -L/usr/lib/../lib64/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64 -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/ -L/lib/../lib64 -L/lib/../lib64/ -L/usr/lib/../lib64 -L/usr/lib/../lib64/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/ -L/home/beegfs/intel/oneapi/clck/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ippcp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/vpl/2021.1.1/lib/ -L/home/beegfs/intel/oneapi/ccl/2021.1.1/lib/cpu_gpu_dpcpp/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//libfabric/lib/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/release/ -L/home/beegfs/intel/oneapi/mpi/2021.1.1//lib/ -L/home/beegfs/intel/oneapi/dnnl/2021.1.1/cpu_dpcpp_gpu_dpcpp/lib/ -L/home/beegfs/intel/oneapi/dal/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/ipp/2021.1.1/lib/intel64/ -L/home/beegfs/intel/oneapi/mkl/latest/lib/intel64/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/compiler/lib/intel64_lin/ -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/lib/ -L/home/beegfs/intel/oneapi/tbb/2021.1.1/env/../lib/intel64/gcc4.8/ -L/usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../ -L/lib64 -L/lib/ -L/usr/lib64 -L/usr/lib/ -L/usr/lib /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o -m elf_x86_64 /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtbegin.o -lopenctm -lgcc -lgcc_s -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -Bstatic -lirng -Bdynamic -lc -lgcc -lgcc_s /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtend.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/crtn.o -Bdynamic -Bstatic -limf -lsvml -lirng -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -Bstatic -limf -Bdynamic -lm -Bstatic -lipgo -ldecimal -Bdynamic -lcilkrts -lstdc++ -lgcc -lgcc_s -Bstatic -lirc -lsvml -Bdynamic -ldl -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -Bstatic -lirng -Bdynamic -lc -lgcc -lgcc_s -Bstatic -lirc_s -Bdynamic -ldl -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -Bstatic -lirng -Bdynamic -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -Bstatic -lirng -Bdynamic -lc /usr/lib/gcc/x86_64-redhat-linux/4.8.5/crtend.o /usr/lib/gcc/x86_64-redhat-linux/4.8.5/../../../../lib64/../lib64/crtn.o -Bdynamic -Bstatic -limf -lsvml -lirng -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -Bstatic -limf -Bdynamic -L/home/beegfs/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/../../compiler/lib/intel64_lin -Bstatic -limf -Bdynamic -lm -Bstatic -lipgo -ldecimal -Bdynamic -lcilkrts -lstdc++ -lgcc -lgcc_s -Bstatic -lirc -lsvml -Bdynamic -Bstatic -lirng -Bdynamic -Bstat
Also dosplot still doesn’t work:
pyprocar.dosplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3])
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.6.3 created on Mar 5th, 2021
Please cite: Uthpala Herath, Pedram Tavadze, Xu He, Eric Bousquet, Sobhit Singh, Francisco Muñoz and Aldo Romero., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Developers:
- Francisco Muñoz
- Aldo Romero
- Sobhit Singh
- Uthpala Herath
- Pedram Tavadze
- Eric Bousquet
- Xu He
- Reese Boucher
- Logan Lang
- Freddy Farah
Script initiated
code : elk
File name : vasprun.xml
mode : parametric
spins : None
atoms list : [2, 3]
orbs. list : None
energy range : [-15, 15]
colormap : jet
vmax : None
vmin : None
grid enabled : False
savefig : None
title : None
Traceback (most recent call last):
File "
I did python -v and here is where import hangs: mport 'trimesh.exchange.misc' # <_frozen_importlib_external.SourceFileLoader object at 0x2af68773ec50>
/home/rcohen/.conda/envs/newrec3/lib/python3.6/site-packages/trimesh/exchange/pycache/assimp.cpython-36.pyc matches /home/rcohen/.conda/envs/newrec3/lib/python3.6/site-packages/trimesh/exchange/assimp.py
code object from '/home/rcohen/.conda/envs/newrec3/lib/python3.6/site-packages/trimesh/exchange/pycache/assimp.cpython-36.pyc'
import 'trimesh.exchange.assimp' # <_frozen_importlib_external.SourceFileLoader object at 0x2af6878e1f98>
/home/rcohen/.conda/envs/newrec3/lib/python3.6/site-packages/trimesh/exchange/pycache/threemf.cpython-36.pyc matches /home/rcohen/.conda/envs/newrec3/lib/python3.6/site-packages/trimesh/exchange/threemf.py
code object from '/home/rcohen/.conda/envs/newrec3/lib/python3.6/site-packages/trimesh/exchange/pycache/threemf.cpython-36.pyc'
import 'trimesh.exchange.threemf' # <_frozen_importlib_external.SourceFileLoader object at 0x2af6878e9668>
/home/rcohen/.conda/envs/newrec3/lib/python3.6/site-packages/trimesh/exchange/pycache/openctm.cpython-36.pyc matches /home/rcohen/.conda/envs/newrec3/lib/python3.6/site-packages/trimesh/exchange/openctm.py
code object from '/home/rcohen/.conda/envs/newrec3/lib/python3.6/site-packages/trimesh/exchange/pycache/openctm.cpython-36.pyc'
On Mar 8, 2021, at 2:17 PM, Ronald Cohen [email protected] wrote:
However, I am not sure about the color shading . The attached dos shows that lowest conduction bands are Ti 3d,, but these are not shaded showing atom type 2. Is this just the color map? How to change the colormap? Thanks!
Ron
<PastedGraphic-2.png> <PDOS_S02_A0001.OUT.columns_Tid.pdf> <PDOS_S03_A0001.OUT.columns_Osp.pdf>
On Mar 8, 2021, at 12:07 PM, Ronald Cohen <[email protected] mailto:[email protected]> wrote:
Thank you so much. I finally got the latest version installed.
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.6.3 created on Mar 5th, 2021
Please cite: Uthpala Herath, Pedram Tavadze, Xu He, Eric Bousquet, Sobhit Singh, Francisco Muñoz and Aldo Romero., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080. ..
knames : ['$L$', '$\Gamma$', '$F$', '$L$', '$Z$', '$\Gamma$', '$M$'] kticks : [0, 46, 101, 148, 203, 253, 299] Fermi energy : 0.4446091604 eV (from Elk output) spd shape : (300, 251, 1, 11, 18) [kpoints, bands, spins, atoms+1, orbitals+2] normalizing to : (0.0, 0.9204) (<Figure size 1400x950 with 2 Axes>, <AxesSubplot:ylabel='$E-E_f$ [eV]'>)
Now it looks ok! Thank you!
<PastedGraphic-1.png> the correct band a structure is:
<elk-bands.pdf>
Sincerely,
Ron
On Mar 5, 2021, at 5:31 PM, Uthpala Herath <[email protected] mailto:[email protected]> wrote:
Yes, that is the current version. If you go to setup.json you can see that the version is 5.6.3.
The conda version is out-dated. Please install with either setup.py on github or pip with pip install pyprocar --upgrade.
Thanks
On Fri, Mar 5, 2021 at 5:26 PM Ronald Cohen <[email protected] mailto:[email protected]> wrote:
I got this from git hub. Just now: git pull https://github.com/romerogroup/pyprocar.git https://github.com/romerogroup/pyprocar.git < https://github.com/romerogroup/pyprocar.git https://github.com/romerogroup/pyprocar.git> Can you please put the current version on github?
Ron
On Mar 5, 2021, at 5:23 PM, Uthpala Herath <[email protected] mailto:[email protected]> wrote:
You seem to be using an out-dated version of PyProcar (5.5.2). Please update to the current version (5.6.3) and give it another try.
Here's the link to the images:
https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing https://drive.google.com/file/d/1fFE8tgWC5aorwBmmAT12sexRhNztzFU5/view?usp=sharing
https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing https://drive.google.com/file/d/1LhUS0bJCaKWAta78XgecL__5xJoPg-tw/view?usp=sharing
- Uthpala
On Fri, Mar 5, 2021 at 4:39 PM Ronald Cohen <[email protected] mailto:[email protected]> wrote:
I didn’t get any attachments—now either. I tried your new version on gitup and get this:
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
| _ \ _ | _ \ _ __ ___ ___ __ _ _ __ | |) | | | | |) | '__/ _ \ / / _` | '| | __/| || | /| | | () | (| (| | | || _, || |_| _/ __,|| |/ A Python library for electronic structure pre/post-processing.
Version 5.5.2 created on July 27th, 2020
Please cite: Herath, U., Tavadze, P., He, X., Bousquet, E., Singh, S., Muñoz, F. & Romero, A., PyProcar: A Python library for electronic structure pre/post-processing., Computer Physics Communications 251 (2020):107080.
Script initiated code : elk input file : None mode : parametric spin comp. : 0 atoms list : [2, 3] orbs. list : [-1] fermi energy : None energy range : [-15, 15] colormap : jet markersize : 0.02 permissive : False vmax : None vmin : None grid enabled : True human : False savefig : None title : None outcar : None k-grid : cartesian (Remember to provide an output file for this case to work.)
Elk non spin calculation detected.
Fermi energy : 0.4962075012 eV (from Elk output) Traceback (most recent call last): File "
", line 1, in File "/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/scriptBandsplot.py",
line 326, in bandsplot data = ProcarSelect(procarFile, deepCopy=True, mode=mode) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 57, in init self.setData(ProcarData, deepCopy) File
"/home/beegfs/intel/oneapi/intelpython/latest/lib/python3.7/site-packages/pyprocar/procarselect/procarselect.py",
line 74, in setData self.spd = ProcarData.spd.copy() AttributeError: 'NoneType' object has no attribute 'copy'
pyprocar.bandsplot(elimit=[-15,15],cmap='jet',mode='parametric',code='elk',atoms=[2,3],kdirect=False)
Ron
On Mar 5, 2021, at 3:39 PM, Uthpala Herath <[email protected] mailto:[email protected]
wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:37 PM Uthpala Herath <[email protected] mailto:[email protected]> wrote:
Sorry I sent that in .eps format which your computer may have trouble rendering. Here it is again as a .png additionally with a comparison between the lower conduction bands.
[image: compare-elk-bands-conduction.png] I am not sure where the bands are totally different. Yes there was a bug related to retrieving the reciprocal lattice vectors needed to plot the bands in cartesian coordinates instead of reduced.
Best, Uthpala
On Fri, Mar 5, 2021 at 3:03 PM Ronald Cohen < [email protected] mailto:[email protected]> wrote:
I do not see your plots. I sent you before the comparison. The extra bands are the bottom two conduction bands. The rest of the bands are totally different too. But you have changed the code now?
— You are receiving this because you commented. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618 https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791650618>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ https://github.com/notifications/unsubscribe-auth/AG3ZXMJLBXVELPCHMSK4HT3TCE2KJANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] mailto:[email protected] <[email protected] mailto:[email protected]> Website: https://uthpalaherath.github.io/ https://uthpalaherath.github.io/
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] mailto:[email protected] <[email protected] mailto:[email protected]> Website: https://uthpalaherath.github.io/ https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub <
https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421 https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791674421>,
or unsubscribe <
https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ https://github.com/notifications/unsubscribe-auth/ABA2R5JBLXREG6762DE7J5TTCE6RFANCNFSM4YQDCDQQ
.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] <mailto:[email protected] mailto:[email protected]> office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504 https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791726504>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ https://github.com/notifications/unsubscribe-auth/AG3ZXMLPSVQCEKYJND47HSLTCFFQPANCNFSM4YQDCDQQ
.
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] mailto:[email protected] <[email protected] mailto:[email protected]> Website: https://uthpalaherath.github.io/ https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub < https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791750210 https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791750210>, or unsubscribe < https://github.com/notifications/unsubscribe-auth/ABA2R5K4GYIXD52L6TR25CLTCFKWZANCNFSM4YQDCDQQ https://github.com/notifications/unsubscribe-auth/ABA2R5K4GYIXD52L6TR25CLTCFKWZANCNFSM4YQDCDQQ .
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] <mailto:[email protected] mailto:[email protected]> office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
— You are receiving this because you commented. Reply to this email directly, view it on GitHub <https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791752068 https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791752068>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/AG3ZXMLOWEH33PRURLI5I4LTCFLBPANCNFSM4YQDCDQQ https://github.com/notifications/unsubscribe-auth/AG3ZXMLOWEH33PRURLI5I4LTCFLBPANCNFSM4YQDCDQQ> .
-- Uthpala Herath PhD Candidate Department of Physics and Astronomy West Virginia University Morgantown, WV 26505
Tel. (304) 216-2535 Email: [email protected] mailto:[email protected] <[email protected] mailto:[email protected]> Website: https://uthpalaherath.github.io/ https://uthpalaherath.github.io/ — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub https://github.com/romerogroup/pyprocar/issues/46#issuecomment-791758596, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABA2R5NUJ7I3VLVVQQ6FKSDTCFLUVANCNFSM4YQDCDQQ.
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3
Ronald Cohen Extreme Materials Initiative Carnegie Institution for Science 5251 Broad Branch Rd., N.W. Washington, D.C. 20015 [email protected] mailto:[email protected] office: 202-478-8937 skype: ronaldcohen twitter: @recohen3