[gmx-users] parallel processing

abhisek Mondal 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.

Abhisek Mondal

*Research Fellow*

*Structural Biology and Bioinformatics Division*
*CSIR-Indian Institute of Chemical Biology*

*Kolkata 700032*


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