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howto:gpu_namd [2014/03/10 14:32]
swyngaard [PBS job script]
howto:gpu_namd [2021/12/09 16:42] (current)
Line 22: Line 22:
 <file bash namd.pbs> <file bash namd.pbs>
 #!/bin/bash #!/bin/bash
-#PBS -N test_apoa1+#PBS -N test_namd
 #PBS -l select=2:ncpus=24:mpiprocs=24 #PBS -l select=2:ncpus=24:mpiprocs=24
 #PBS -l walltime=12:00:00 #PBS -l walltime=12:00:00
/app/dokuwiki/data/attic/howto/gpu_namd.1394454724.txt.gz · Last modified: 2021/12/09 16:42 (external edit)