| 2:31:48 PM PDT - Wed, Sep 24th 2014 |
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Huub:
I'm not sure what became of the original poster, but I've been trying to get this working using your build_nwchem script, the exact BLASOPT line you recommended above (using my own path to MKL of course), and the 6.5 release.
It seems that GA 5.3 uses a simple 'ld -lscalapack' to determine whether or not to build its scalapack interfaces. On a system with no scalapack shared library installed at all (e.g. no RedHat scalapack package installed), the check fails. This results in the situation where nwchem tries to link with scalapack but GA has no scalapack support. Thus the link of nwchem fails.
Any recommendations on how to convince GA to not try to find scalapack when we are explicitly specifying it?
Thanks,
Gabe
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