[gmx-users] using gromacs in parallel
magashe at CLEMSON.EDU
Thu Nov 13 23:10:01 CET 2003
I want to run Gromacs on a cluster of 46 processors. The Gromacs
installed on these clusters is compiled with MPI.
But when I ran gromacs MD run, we found that it was running only on a
single node and all the other nodes were idle.
The command I ran was the usual
mdrun -s 2.tpr -o 1.trr -o 4.gro -e md01.edr
What modifications does the command need to enable it to run on all
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