[gmx-users] initiating a parallel run

Y. U. Sasidhar sasidhar at chem.iitb.ac.in
Tue Apr 9 13:13:03 CEST 2002

Our computer centre has setup a 16 node linux cluster and a 16 processor
compaq machine.
In such a parallel environment how do you initiate parallel version of
mdrun ?
We use grompp with -shuffle option and remaining procedure is same as on
a serial version ?
Similarly for installation -enable mpi is the only difference ?


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