Dear Amber users,
I compiled amber 11 (with amber tools 1.5), newly patched with intel 12.1.2.
However, when I test the programs I get some test failures (see attached
file). In particular, I am puzzled by the pmemd test failures (see end
of attached file).
Well, my architecture is AMD Opteron-based but until now I was always
able to compile with intel compilers and got about 10-20 % increase in
speed (both amber and pmemd) comparing with the gcc compilations.
Can anybody shed light on why pmemd fails to build with intel 12.1 on an
AMD-based architecture?
Thank you
Best wishes
Vlad
--
Dr. Vlad Cojocaru
Max Planck Institute for Molecular Biomedicine
Department of Cell and Developmental Biology
Röntgenstrasse 20, 48149 Münster, Germany
Tel: +49-251-70365-324; Fax: +49-251-70365-399
Email: vlad.cojocaru[at]mpi-muenster.mpg.de
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Received on Mon Feb 06 2012 - 07:30:03 PST
