[gmx-users] Problem regarding Gromacs - GPU
rossen at kth.se
Tue Nov 23 14:36:56 CET 2010
The benchmarks are infinite runs (nsteps=-1). Try adding the -maxh
option to mdrun to limit the execution time.
On 11/23/10 9:48 AM, kapil mathur wrote:
> 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 (dhfr-impl-1nm.bench)
> 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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