[molpro-user] memory usage

Keith McLaughlin keythree at gmail.com
Thu May 3 23:51:44 BST 2012

Hi all,

I'm having a lot of problem completing jobs on blacklight, which is a
machine at the Pittsburgh Supercomputing Center.

I'm trying to run a job requesting 7000,m. That is, 7000 megawords, which I
thought would be 54 gigabytes. My job winds up dying (when run on 128 cores
= 8 blades @ 128 GIGS per blade, which means I have access to a terabyte of
memory. Yet, my job is killed with the following error message:

Creating: host=bl0.psc.teragrid.o=>> PBS: job killed: cpuset
memory_pressure 139111 reached/exceeded limit 1 (numa memused is 1073599536

Is this behavior understood? Why would my job possibly be using that much
memory? I've been in contact with PSC support, but they believe this is a
Molpro issue.

Keith McLaughlin, M.S.
University of South Florida
Dept. of Physics/Chemistry
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