[Beowulf] gamess with mpich on IBM eSeries x445
parinay at gmail.com
Wed Apr 27 09:40:23 EDT 2005
I need help for running gamess with mpich on IBM eSeries x445,
which is NUMA server.
* The problem is , how to configure HOSTLIST in rungms script.
-the env variable $PBS_NODEFILE returns empty
-same is the case with $NIC
* Because of which the HOSTLIST is not initialized correctly.
* manual run of mpirun with parameter as below,
mpirun -all-local ./gamess.01.x -scr /home/parinay/scr/ x445 2
2 2 2 returns
Error: Expecting an even number of MPI processes (cp:ds::1:1).
A fatal error occurr on DDI Process 0.
DDI Process 0: Killing remaining DDI processes.
 MPI Abort by user Aborting program !
 Aborting program!
* there was no error while compiling ddi (compddi ), it went off successfully
* So is the case with lked and compall
* gamess is downloaded from http://php.scl.ameslab.gov/GAMESS/dist.source.shtml
gamess binary is created properly but the run with mpirun or rungms is failing.
Please let me know if you need anymore information on this or
If I am doing anything wrong,any help on this is appreciated.
I am sorry if this is off-topic for this mailing list.
thanks & regards,
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