[molpro-user] Error in MRCI(10,10) calculations

Amrit Jalan amrit.jalan at gmail.com
Sun Aug 19 02:01:19 BST 2012


Hi,
I am running a MRCI(10,10) calculation on a single node with 12 processors
and 72 GB of dynamic memory allocated to the program. I seem to get to the
first CI iteration but then the program quits with the following error in
the MPI output file:

=====================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   EXIT CODE: 9
=   CLEANING UP REMAINING PROCESSES
=   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
=====================================================================================
APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)


I tried increasing the GA memory but met the same error. Is this a memory
problem? Any clues as to what may be going on here would be very helpful.

Thanks,
Amrit
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