[gmx-users] multi node processing issue

abhisek Mondal abhisek.mndl at gmail.com
Wed Dec 7 20:13:30 CET 2016


I'm having a hard time running a npt equilibration code with 2 nodes (32
cores). The command I'm using is:
mpirun -np 32 -machinefile  nodes /app/grommacs507/bin/gmx_mpi mdrun
-tunepme -dlb auto -gcom 10 -v -deffnm npt

But this code runs on 32 cores for sometime then  keeps running on 2-4

If you please debug me here.


Abhisek Mondal

*Research Fellow*

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

*Kolkata 700032*


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