From: Sharp, Kim (sharpk_at_pennmedicine.upenn.edu)
Date: Wed Apr 01 2020 - 14:00:15 CDT
you spell devices wrong. so probably namd fell back to non gpu
On 04/01/2020 12:30 PM, L- wrote:
> Dear NAMD user
> I am using NAMD platform for MD simulations. I want to use the GPU nodes
> on the HPC with 4 GPU V100 and 24 cores
>
> when i run the command
> /namd2 +p24 +decvices 0,1
>
> the Benchmark Days/ns is .01,
> then I compared the simulation output performance with 4GPU
> /namd2 +p24 +decvices 0,1 ,2,3
>
> I got the same !!
>
> it looks very poor performance for me
>
> anyone can help me ..how i can utilize this HPC
>
> Lamya :)
>
-- Kim Sharp, Ph.D, Dept. of Biochemistry & Biophysics Chair, Biochemistry & Molecular Biophysics Graduate Group Perelman School of Medicine at the University of Pennsylvania 805A Stellar Chance Philadelphia, PA 19104 webpage: crystal.med.upenn.edu 215-573-3506
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