cluster:116
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cluster:116 [2013/08/05 15:44] hmeij |
cluster:116 [2013/08/06 15:27] hmeij |
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| Note: ran out of time to get an example running but it should follow the LAMMPS approach of above pretty closely. | Note: ran out of time to get an example running but it should follow the LAMMPS approach of above pretty closely. | ||
| + | |||
| + | Here is quick Amber example | ||
| + | |||
| + | < | ||
| + | |||
| + | [hmeij@sharptail nucleosome]$ export AMBER_HOME=/ | ||
| + | |||
| + | # find a GPU ID with gpu-info then expose that GPU to pmemd | ||
| + | [hmeij@sharptail nucleosome]$ export CUDA_VISIBLE_DEVICES=1 | ||
| + | |||
| + | # you only need one cpu core | ||
| + | [hmeij@sharptail nucleosome]$ mpirun_rsh -ssh -hostfile ~/ | ||
| + | |||
| + | </ | ||
| + | |||
cluster/116.txt ยท Last modified: 2014/02/04 13:57 by hmeij
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