segmentation fault--running small test case, compiled with gfortran


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Forum Vet
1:11:54 PM PDT - Mon, Oct 15th 2012
Chaitanya,
Have tried to debug what call is causing the Segmentation Violation error?

To make things simpler, I would suggest to compile first with any MKL library to link against (including Scalapack),
have you tried it already?
I suggest to recompile NWChem without redefining FOPTIMIZE and COPTIMIZE, too, and use gcc as C compiler.

Cheers, Edo