[gmx-developers] Problem with external LAPACK and DOUBLE
David van der Spoel
spoel at xray.bmc.uu.se
Sun Jan 27 22:38:52 CET 2019
a problem has surfaced in the normal modes tests with the combination of
DOUBLE precision and external LAPACK. Turning off external LAPACK and
BLAS removes the error.
That leads me to the question which LAPACK should be regarded as the
reference code, the internal one or an external library? Which one in
David van der Spoel, Ph.D., Professor of Biology
Head of Department, Cell & Molecular Biology, Uppsala University.
Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
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