| 12:14:29 PM PDT - Wed, Apr 18th 2012 |
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Lukasz,
I am quite clueless about the reason why your memory allocation is failing under IBM64 (especially since
I have no access to a IBM64 platform and since things work OK under LINUX64, instead).
Could you please try the following memory line, instead and tell me what happens?
Since NWChem use local (a.k.a MA) memory and global (GA) memory, I would like to see
what happens if you try a small amount of GA memory and keep increasing MA memory instead,
that please try the following sequence (in separate input files, of course)
memory stack 1000 mb heap 300 mb global 250 mb
memory stack 1250 mb heap 300 mb global 250 mb
memory stack 1500 mb heap 300 mb global 250 mb
memory stack 1750 mb heap 300 mb global 250 mb
...
and so on by increasing the stack value until NWChem crashes.
Please let me know the outcome of this process, Edo
PS To fix the 6.1 tools compilation problem, you might want to use gcc instead of xlc as C compiler by setting CC=gcc
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