[gmx-users] parallel processing

[abhisek Mondal]

Hi,

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*

*INDIA*