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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