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Showing posts with label
amd
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04 September 2012
226. ACML libs and nwchem -- what libs to choose to avoid 'Singularity in Pulay matrix' hang.
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The problem: If I compile nwchem against the acml libs ( gfortran64_fma4 in acml-5-2-0-gfortran-64bit.tgz ) everything appears to go fine,...
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