[molpro-user] Problem with molpro 2010.1.26 mpp and torque 3.0.5
Fabricio Cannini
fcannini at gmail.com
Wed Jul 17 22:00:12 BST 2013
Hello there !
I have a cluster running centos 5.8 x86-64 , with the precompiled
version above installed . Torque is working fine with every other
software installed on the machine, except molpro . Password-less SSH is
working fine, and RSH too .
I can run molro directly in a shell both on the head-node and on a node,
logging by SSH or RSH . The problem happens only when running molpro
through torque, both as a batch job, or as an interactive job .
I know that this problem has been reported before, but all the
suggestions i have found so far haven't been helpful for my case .
This is the error messages when i submit an interactive job :
=======================
$ molpro -n 4 -d /scratch/user/8985.host.name -L
/export/apps/softwares/intel/11.0/molpro/2010.1.26/lib < agua-orb-save.inp
tmp =
/home/user/pdir//export/apps/softwares/intel/2011/molpro/2010.1.26/bin/molpro.exe.p
Creating: host=compute-2-5, user=user,
file=/export/apps/softwares/intel/2011/molpro/2010.1.26/bin/molpro.exe,
port=48589
Creating: host=compute-2-5, user=user,
file=/export/apps/softwares/intel/2011/molpro/2010.1.26/bin/molpro.exe,
port=38656
Creating: host=compute-2-5, user=user,
file=/export/apps/softwares/intel/2011/molpro/2010.1.26/bin/molpro.exe,
port=33625
Creating: host=compute-2-5, user=user,
file=/export/apps/softwares/intel/2011/molpro/2010.1.26/bin/molpro.exe,
port=39916
forrtl: severe (64): input conversion error, unit -5, file Internal
Formatted Read
Image PC Routine Line Source
molpro.exe 00000000035BE63A Unknown Unknown Unknown
molpro.exe 00000000035BD1B5 Unknown Unknown Unknown
molpro.exe 00000000034E7DF6 Unknown Unknown Unknown
molpro.exe 000000000347E155 Unknown Unknown Unknown
molpro.exe 000000000347D911 Unknown Unknown Unknown
molpro.exe 00000000034A0DFB Unknown Unknown Unknown
molpro.exe 000000000349F4C0 Unknown Unknown Unknown
molpro.exe 00000000004A9BA9 Unknown Unknown Unknown
molpro.exe 00000000004A7186 Unknown Unknown Unknown
molpro.exe 00000000004A54ED Unknown Unknown Unknown
molpro.exe 000000000049646F Unknown Unknown Unknown
molpro.exe 0000000000400655 Unknown Unknown Unknown
molpro.exe 00000000004005FC Unknown Unknown Unknown
molpro.exe 00000000035DAF1B Unknown Unknown Unknown
molpro.exe 00000000004004C9 Unknown Unknown Unknown
4: interrupt(1)
2: ARMCI aborting 2 (0x2).
3: ARMCI aborting 2 (0x2).
2: ARMCI aborting 2 (0x2).
1: ARMCI aborting 2 (0x2).
1: ARMCI aborting 2 (0x2).
3: ARMCI aborting 2 (0x2).
WaitAll: No children or error in wait?
=====================
Any suggestions to what am I doing wrong ?
TIA
Fabricio
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