1:37:14 PM PDT - Thu, May 8th 2014 |
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Son of a gun! After days of thrashing around, it turned out to be the stupid default PBS startup script, which has this in it:
[xyzzy]# grep ulimit /etc/init.d/*
/etc/init.d/pbs: ulimit -l 262144
This is a private cluster so I just set it to unlimited, pushed the new startup file to all the nodes, and NWchem is running fine now on two 16-core nodes.
Is this a standard PBS value for locked memory, or did the vendor who shipped this cluster set that?
Many thanks for you help,
Steve
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