[gmx-users] Gromacs_GPU_Compiling_Problem

Peter Kroon p.c.kroon at rug.nl
Tue Aug 22 11:20:29 CEST 2017


you (tried to) compile gromacs 5.1.4; but your mdrun says it's version
5.1.2. Somewhere something is wrong. Did you source your new GMXRC from
the version you compiled and installed?


On 22-08-17 10:36, Nikhil Maroli wrote:
> Hi,
> Your log file did not show any GPU card.  which card you have? try
> lspci and install corresponding drivers and compile with CUDA.

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