[gmx-users] Gromacs GPU got hang

[M Teguh Satria]

Hi All,

I am new in using Gromacs. I have a small HPC cluster and one of the nodes
has a Tesla K40 GPU. Now I have problem when trying to run a Gromacs GPU
job in that GPU node. It seems my job got hang after several hours running,
the gromacs log was stopped being updated and through nvidia-smi I saw the
GPU process became 0% GPU Util.

Any of you experiencing similar problem ? Is there any way to
troubleshoot/debug to see the cause ? Because I didn't get any warning or
error message.

Thanks in advance.

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Regards,
Teguh