Cannot run parallel molpro. Help!
N.Wilson at bham.ac.uk
Tue Apr 1 19:07:32 BST 2003
The athlon rpms were built on a RedHat 7.3 (2.4.18) system (the pentium 3 &
4 rpms were built on SuSE 8.1 (2.4.24)). As many of the libraries as
possible are statically linked so that if you run a single processor job
then this rpm should hopefully work everywhere. The problem you have seen
can arise when you try to run parallel jobs on a different version of linux.
Global arrays (tcgmsg) allocates sockets for communication and if your
kernel is configured differently then you will see errors like those that
you have seen.
I would suggest that you try to compile from the source code.
----- Original Message -----
From: Rodolfo Briones <rodbrio at mail.ciq.uchile.cl>
To: <molpro-user at molpro.net>
Sent: Tuesday, April 01, 2003 11:22 AM
Subject: Cannot run parallel molpro. Help!
> Molpro users:
> I've recently installed molpro_2002_6_athlon_mpp rpm binaries on my
> 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 =
> Creating: host=gold, user=mendiza,
> tcgmsg.exe, port=58634
> or when export MOLPRO_GA_DEBUG=yes
> mendiza at gold:/data/mendiza> :: PROCGRP file /tmp/procgrp.00005445 ::
> :: mendiza gold 1
> g.exe /data/mendiza
> cd /data/mendiza/
> long output file: /data/mendiza/h2.log
> 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:
> End of diagnostics
> 1: interrupt(1)
> WaitAll: No children or error in wait?
> 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
> Thanks in advance
> Rodolfo Briones
> Universidad de Chile
> rodbrio at ciq.uchile.cl
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