From: nam kim (namkkim_at_gmail.com)
Date: Sat Aug 01 2015 - 16:33:04 CDT
On Sat, Aug 1, 2015 at 1:51 PM, nam kim <namkkim_at_gmail.com> wrote:
> computing node has 32 cores with 4 GTX 980 gpus.
> with CUDA_VISIBLE_DEVICES, I'd like to run two namd jobs with a pair of
> gpus. script below I wrote failed. Could you help me to find errors?
> --------------------------------------------------
>
> #!/bin/bash
> #SBATCH -D /home/rhye
> #SBATCH -J grk4-R65L
> #SBATCH --partition=gpus
> #SBATCH --get-user-env
> #SBATCH --nodes=1
> #SBATCH --ntasks-per-node=2
> #SBATCH --gres=gpu:2
> #SBATCH --time=00:30:00
>
> source /etc/profile.d/modules.sh
> srun hostname -s | sort -u >slurm.hosts
>
> CUDA_HOME=/cm/shared/apps/cuda70/toolkit/current
> export NAMD_HOME=/home/namkim/NAMD-GPU/bin
> export PATH=$CUDA_HOME/bin:$NAMD_HOME:$PATH
> export LD_LIBRARY_PATH=$CUDA_HOME/lib64:$NAMD_HOME:$LD_LIBRARY_PATH
> export CUDA_VISIBLE_DEVICES=0,1
>
> cd /home/rhye/R65L-SIMULATION
> export NAMD_JOBNAME=/home/rhye/R65L-SIMULATION
>
> srun $NAMD_HOME/charmrun ++local +p16 $NAMD_HOME/namd2 +idlepoll +devices
> $CUDA_VISIBLE_DEVICES newer-sample5.conf >& speed-testx1.log &
>
>
>
> export CUDA_VISIBLE_DEVICES=2,3
>
> srun $NAMD_HOME/charmrun ++local +p16 $NAMD_HOME/namd2 +idlepoll +devices
> $CUDA_VISIBLE_DEVICES newer-sample5.conf >& speed-testx2.log &
>
> wait
>
>
> rm -f slurm.hosts
>
>
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