[molpro-user] weird issue with MOLPRO 2010.1 binaries

[Gershom Martin]

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