[molpro-user] weird issue with MOLPRO 2010.1 binaries

Manhui Wang wangm9 at cardiff.ac.uk
Mon Sep 20 10:17:08 BST 2010

Dear Jan,

Can you log in other nodes by rsh without password? The default
connection is rsh(not ssh) in binary version when it is run across
nodes. If you run binary molpro on local node, there is no such requirement.

Best wishes,

Gershom Martin wrote:
> Hello:
> I just downloaded and installed the new binaries. 
> Oddly enough: if I submit a job via torque/MOAB, it dies immediately with this error message:
> (rank:0 hostname:cfa082 pid:24164):ARMCI DASSERT fail. signaltrap.c:SigSegvHandler():301 cond:0
> However, if I login to the same node cfa082 and run the script manually, the job runs fine.
> I diffed the environment variables in both cases and found nothing relevant. The behavior persists when I add -N comartin:cfa082:4  or whatever to the molpro command line.
> Any thoughts?
> Many thanks in advance
> Best regards
> Jan
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Manhui  Wang
School of Chemistry, Cardiff University,
Main Building, Park Place,
Cardiff CF10 3AT, UK
Telephone: +44 (0)29208 76637

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