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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