[gmx-users] Problem regarding Gromacs - GPU

kapil mathur strikekapil at gmail.com
Tue Nov 23 09:48:16 CET 2010

Dear All,

I have some queries regarding the benchmarking result of mdrun-gpu :

1. I have run mdrun-gpu with dhfr-impl-1nm.bench on tesla-c1060 , can you
provide me the details regarding the execution time it takes as in my case
it is running from a very long time (4-5 hours) .
2. Similar things are happening for Gromacs-MPI also.
I am running it as follows :

mdrun-gpu -device
"OpenMM:platform=Cuda,memtest=15,deviceid=0,force-device=no" -s topol.tpr

mpirun -np 4 mdrun -s topol.tpr (dhfr-impl-1nm.bench)

Thanking you in advance

Kapil Mathur
HPC Solutions Group
C-DAC, Pune
Phone: +91-20-25704309
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