Gromacs Issue on EPYC 7B12 Workstation

[pimooni]

As for info in log filehead, please see following:

I saw another similar situation but I’m not sure if he/she has solved. topic:

Simulations hang on AMD CPU system

GROMACS version: 2022.3 GROMACS modification: No I am attempting to run ~150 ns simulations that take ~12 hours on a single-node AMD CPU system, but the simulations sometimes hang after ~8 hours of run time (i.e. the system resources remain occupied but the simulation fails to progress). This is the same issue reported here, but my understanding is that the work-around solution of using intelmpi is incompatible with my system. For reference, here is my GROMACS and system info: GROMACS versi…

Now, AGAIN, I’m stuck here…
Please kindly help.

Thanks with Regards,
Pim