CP2K in IBM PWR5 machinces

LIANG Yunfeng liangy... at gmail.com
Thu Mar 6 17:03:46 UTC 2008


Dear all,

I'm launching cp2k (mainly Quick-Step) to an IBM machine. It seems the
compilation is ok. But when I test it for liquid water with 32
molecules(just using the example attached in the tests/QS/32H2O-md.inp). The
machince is:

IBM eServer pSeries 595 with 64 PowerPC_POWER5 1.9 GHz processors and 256 Gb
of main memory

I was using 30 cpus,  but then I met problem...see attachment for the
standard output. Below is in the "reg.err" file.

.......
ATTENTION: 0031-728 Cannot set stack limit to 9223372036854775807, hard
limit is 53687091200.
ATTENTION: 0031-728 Cannot set stack limit to 9223372036854775807, hard
limit is 53687091200.
ERROR: 0031-250  task 22: Terminated
ERROR: 0031-250  task 0: Terminated
ERROR: 0031-250  task 1: Terminated
.......

Thanks
Sincerely, Yunfeng
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