| 1:22:00 PM PDT - Thu, Mar 31st 2011 |
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I've seen a posting about using BLAS here, but there was no answer. I can build NWchem-6.0 with GotoBLAS and Intel compiler, using the build_nwchem script with added HAS_BLAS=yes and BLASOPT="/mypath/libgoto2-intel.a -lpthread". It does link OK. But then almost every QA test fails for bad DGEMM in the autosym procedure. Is it possible to fix this?
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With best regards,
Grigory Shamov
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