[Beowulf] gamess with mpich on IBM eSeries x445

parinay parinay at gmail.com
Wed Apr 27 09:40:23 EDT 2005


Hi
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.
[0] MPI Abort by user Aborting program !
[0] 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,
parinay

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