How to start Molpro on MPI/Myrinet system
Elmar Gerwalin
elg at chemie.uni-kl.de
Wed May 21 20:56:23 BST 2003
Hello,
I'd like to start Molpro_myrinet, but don't know exactly how to achieve this.
>From my CONFIG:
WRAPPER_myrinet=/homes/gerwalin/.mpich/bin/mpirun.ch_gm
Entering "molpro_myrinet -v -n 2 job.in"
results in starting of "mpirun.ch_gm -np 2 job.in" , which fails as the
concrete node-names aren't known to the mpirun-script.
Options like -n are converted to -np correctly, but others are ignored:
How do I give further options like -machinefile <machfile> to the
mpirun.ch_gm? -N:node1:2 doesn't work.
Is it a good way to compile molpro for myrinet without the WRAPPER and
starting "mpirun.ch_gm -<options> job.in myself" ?
Thanks for your help!
Bye
Elmar
--
========================================================
Elmar Gerwalin , University of Kaiserslautern,Germany
Dept. of Theoretical Chemistry
and IT Service Team
elg at chemie.uni-kl.de 0631-205-2749
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