[gmx-users] Problem regarding Gromacs - GPU

[Rossen Apostolov]

Hi,

The benchmarks are infinite runs (nsteps=-1). Try adding the -maxh 
option to mdrun to limit the execution time.

Rossen


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 :
>
> GPU:
> mdrun-gpu -device 
> "OpenMM:platform=Cuda,memtest=15,deviceid=0,force-device=no" -s 
> topol.tpr (dhfr-impl-1nm.bench)
>
> CPU(Cluster):
> 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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