[gmx-users] not running on higher no of nodes

Anupam Nath Jha anupam at mbu.iisc.ernet.in
Thu Aug 14 08:35:28 CEST 2008

Dear all

My job is running successfully on 32no of nodes (gromacs-3.3.3) of Rocks 4.3, 33
node cluster ( Dual processor, Quad core Intel Xeon: Total 264 cores ), but if I
am submitting same job for 64or higher no of nodes. it's coming without doing
this is my command line:

grompp_mpi -np 64 -f run.mdp -p topol.top -c pr.gro -o run.tpr
mpirun -machinefile ./machfile1 -np 64 mdrun_mpi -v -deffnm run

what's going wrong.


Science is facts; just as houses are made of stone, so is science is made of
facts; but a pile of stones is not a house, and  a collection of facts is not
necessarily science.

Anupam Nath Jha
Ph. D. Student
Saraswathi Vishveshwara Lab
Molecular Biophysics Unit
Ph. no.-22932611

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