[gmx-users] GMX 5.0.6 on nodes with gpus
devapriyachem at gmail.com
devapriyachem at gmail.com
Wed Sep 16 17:12:05 CEST 2015
Hello,
I am running GMX 5.0.6 on 2 nodes of a cluster. Each node has 1 gpu (Tesla
k20). In the log file, gmx reports that the program is running on 2 ranks and
reports that it detects 1 gpu on one node.
However, it says nothing about the gpu on second node. My guess is that this
is not normal. The mpi is handled by ibrun.
ibrun -np 2 mdrun_mpi_gpu -gpu_id 0 -s md-01.tpr -x md-01.xtc -e md-01.edr -g
md-01.log
I am not sure how to fix the input, any pointers are greatly appreciated.
Thanks,
Deva.
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