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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