[gmx-users] parallel processing
abhisek.mndl at gmail.com
Fri Dec 2 08:38:12 CET 2016
I'm running gromacs on a cluster configuration as follows:
1 node = 16 cores
I'm able to use single node with "gmx mdrun -ntmpi 4 -ntomp 16 -npme 0 -v
-deffnm em" command.
How can I be able to run on multiple node (I have 20 nodes available) ?
"-nt" is not doing good here.
*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*
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