[molpro-user] mpiexec instead of mpirun

Scott Yockel yockel at unt.edu
Mon Mar 28 22:20:23 BST 2005

Molpro Users,

I'm would like to use mpiexec instead of mpirun to run molpro in 
parallel on our linux cluster because apparently mpiexec communicates 
better with PBS (torque).  Right now I'm having the problem when I kill 
a job, it abandons the spawned child processes on the other nodes.  
Also, for accounting reasons mpiexec should work better too.

Has anyone else ever done this before?  Is there a patch or mpi wrapper 
that someone has successfully used?

I'm running Molpro2002.6 on a dual-Althon 32-bit Linux 2.6.8-2-k7-smp 
system.  Thanks for you help.

~Scott Yockel

Scott Yockel
University of North Texas Department of Chemistry
Office: 940-565-2948, Room 262C

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