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

[Andy May]

Amrit,

It's hard to say much from this error which is just a generic error message.

Is there a warning/error printed at the very end of the .out or .xml file?

The memory requested in the Molpro input file is per process, so can you 
confirm that 12 times that amount of memory is less than the 72Gb you 
have available? Also, the Molpro memory is specified in megawords, see:

http://www.molpro.net/pipermail/molpro-user/2010-April/003723.html

for details of Molpro memory.

Best wishes,

Andy

On 19/08/12 02:01, Amrit Jalan wrote:
> 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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