generally, try to reduce the problem to something simpler. Therefore
try the *exact* same thing on a non-gpu run.
That said, it seems pretty clear that you created a .tpr file with a
higher version of grompp and then tried to run it with a lower version
of mdrun... or something like that, but definitely to do with versions.
Unfortunately, the error message is somewhat cryptic unless you have
seen it before.
Chris.
Dear all:
I am troubled with this problem: when I run mdrun_openm faaia in GPU
calculation of gmx, I met the following information:
*Back Off! I just backed up md.log to md.log.2*
**
*Getting Loaded...*
**
*Reading file 1.tpr, VERSION 4.0.3 (single precision)*
**
*Note: tpx file_version 58, software version 59*
**
*Segmentation fault*
What does it mean? How can I run the this simulation? Thanks a lot...
Ming
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