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