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Gaussian doesn't like writing scratch temp files to '/tmp' in discovery

Open davidfarinajr opened this issue 5 years ago • 6 comments

Gaussian crashes when $GAUSS_SCRDIR is set to /tmp in Discovery sample error message

PGFIO/stdio: No such file or directory
PGFIO-F-/OPEN/unit=11/error code returned by host stdio - 2.
 File name = /tmp/farina.d/autotst/Gau-48004.inp
 In source file ml0.f, at line number 197
  g16() [0xb91318]
  g16() [0xb926da]
  g16() [0xb9205c]
  g16() [0x404619]
  g16() [0x40397d]
  /lib64/libc.so.6(__libc_start_main+0xf5) [0x2aaef1d78445]
  g16(sched_setaffinity+0xa1) [0x4038a9]
/var/spool/slurm/d/job5752911/slurm_script: line 3: 48004 Aborted 

davidfarinajr avatar Jun 18 '19 18:06 davidfarinajr

Did you mkdir the /tmp/farina.d/autotst/ folder? The No such file or directory is what's making me ask.

rwest avatar Jun 18 '19 19:06 rwest

hmm. I thought I did, but its very possible I forgot to. I'm just running it in /scratch right now. When I submit more jobs, I'll make sure to make the /tmp/farina.d/autotst/ folder and see if that fixes the issue

davidfarinajr avatar Jun 18 '19 19:06 davidfarinajr

Bumping this, because I think on Comet it's probably also important to do as much as possible on the compute node's local drive rather than the networked file system. If this is no longer a problem then I guess this issue can be closed.

rwest avatar Mar 12 '20 00:03 rwest

Have you solved the problem yet?

molu851-luo avatar Nov 29 '21 08:11 molu851-luo

Hey folks, how did you solve it? I am having the same issue!

espressoshots avatar Aug 23 '22 08:08 espressoshots

Have you solved the problem yet?

Hey after $GAUSS_SCRDIR "add the directory here" where you are storing the .gjf file and you are good to go!

worked for me.

espressoshots avatar Aug 23 '22 11:08 espressoshots