[gmx-users] Crashed restart hangs

Alex nedomacho at gmail.com
Fri Aug 7 22:01:13 CEST 2015

Hi all,

Something really weird is going on. I had two runs (each using two CPU
cores and my GPU) that crashed out of nowhere. Tried restarting with -cpi
state.cpt -append, the simulations run, but the log isn't being updated.
Any thoughts? This is v. 5.0.5, never happened before, I've always been
able to restart my crashes from the checkpoint file.

Also, seems like the Nvidia library got updated. When that happens, do I
need to recompile Gromacs? I am actually rebuilding it right now anyway,
but wonder if this is at all necessary.

Any help will be highly appreciated.

Thank you,


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