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trr2all: Can't recognize gmx dump with trr2all Tool on Linux Cluster

Open unknown-fractal opened this issue 2 months ago • 1 comments

Dear Dr. Li,

I encountered some issues while using your trr2all tool. Due to the significant computational load, I attempted to utilize the tool on a Linux cluster. It seems that I managed to run the .exe file using Wine, yet encountered errors during execution, as follows:

Can't recognize 'gmx_mpi dump -s /home/aczzq/ach-test.tpr -quiet ' as an internal or external command, or batch script.
At line 95 of file G:\Dropbox\prog\trr2all\trr2all.f90 (unit = 100, file = '/home/aczzq/ach-test.dmp')
Fortran runtime error: End of file

Error termination. Backtrace:

Could not print backtrace: executable file is not COFF
#0  0xffffffff
#1  0xffffffff
#2  0xffffffff
#3  0xffffffff
#4  0xffffffff
#5  0xffffffff
#6  0xffffffff
#7  0xffffffff
#8  0xffffffff
#9  0xffffffff
#10  0xffffffff
#11  0xffffffff
#12  0xffffffff
#13  0xffffffff
#14  0xffffffff
#15  0xffffffff
#16  0xffffffff

Given that your tool is compiled in .exe format, I find it challenging to pinpoint the source of the problem. I attempted to run the problematic command (gmx_mpi dump -s /home/aczzq/ach-test.tpr -quiet) in the terminal, and it executed without errors. Hence, I am uncertain about resolving this issue and would greatly appreciate your assistance amidst your busy schedule.

Thank you very much.

unknown-fractal avatar Apr 29 '24 15:04 unknown-fractal