Cannot run parallel molpro. Help!

Rodolfo Briones rodbrio at mail.ciq.uchile.cl
Tue Apr 1 11:22:48 BST 2003


Molpro users:

I've recently installed molpro_2002_6_athlon_mpp   rpm binaries on my little
cluster (tcgmsg).
3 nodes with 2 Athlon MP 2000 cpus running SuSE Linux 7.3 (2.4.19
kernel), 1GB per node
with just one machine license. We are already running G98 over Linda.
Until now I can not run molpro on more than 1 CPU (no matter -G or -m
values and also happened with 2002_3)
I checked the SHMMAX=900MB
and also set GA to 128MB (16777216 words)
I would like to run molpro al least in two cpu, but i constantly have
error messages for -n bigger than two like:

1:1:termxy:: 0
1: ARMCI aborting 0 (0).
0:Child process terminated prematurely, status=: 256
tmp =
/home/mendiza/pdir//usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_
2002_6_athlon_tcgmsg.exe.p
Creating: host=gold, user=mendiza,
file=/usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_athlon_
tcgmsg.exe, port=58634


or when export MOLPRO_GA_DEBUG=yes
mendiza at gold:/data/mendiza> :: PROCGRP file /tmp/procgrp.00005445 ::
:: mendiza gold 1
/usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_athlon_tcgms
g.exe /data/mendiza
cd /data/mendiza/
long output file: /data/mendiza/h2.log
/usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/parallel

/usr/local/lib/molpro-mpp-Linux-i686-i4-2002.6/molprop_2002_6_athlon_tcgms
g.exe


Input/Output Error 148: Invalid character
   In Procedure: i_getenv
          At Line: 648

        Statement: Formatted READ
             Unit: Internal File
    Record Number: 1

  Current I/O Buffer:

  yes
  !
  End of diagnostics

    1: interrupt(1)
  WaitAll: No children or error in wait?
  status=256

  mendiza at gold:/data/mendiza> WaitAll: No children or error in wait?


  This happens with several job tests like n2f2_ccsd.com,
  allene_optmp2.com, caffeine_opt_diis.com, or h2.com
  and with the combination of -n 2 or -N for localmachine with 2 processes

  Where is the problem?
  Is there any setting to check I ve forgotten?

  Will my system support to 8 processors or do I have to install a molpro
  license on every node? (I have just a node lock version)
  How do I know if my molpro binary was compiled for large files?
  Is there any precaution to enable the SO for largefiles (ext3 filesystem 
installed)?

  Thanks in advance

  Rodolfo Briones
  Universidad de Chile
  rodbrio at ciq.uchile.cl 




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