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howto:gpu_namd [2014/03/10 14:32]
swyngaard [PBS job script]
howto:gpu_namd [2014/03/19 11:48] (current)
swyngaard [PBS job script]
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
/var/www/wiki/data/pages/howto/gpu_namd.txt · Last modified: 2014/03/19 11:48 by swyngaard