[gmx-users] g_tune_pme for multiple nodes

Chandan Choudhury iitdckc at gmail.com
Tue Aug 28 20:33:02 CEST 2012

Dear gmx users,

I am using 4.5.5 of gromacs.

I was trying to use g_tune_pme for a simulation. I intend to execute
mdrun at multiple nodes with 12 cores each. Therefore, I would like to
optimize the number of pme nodes. I could execute g_tune_pme -np 12
md.tpr. But this will only find the optimal PME nodes for single nodes
run. How do I find the optimal PME nodes for multiple nodes.

Any suggestion would be helpful.


Chandan kumar Choudhury
NCL, Pune

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