Now all tests PASSED. Thanks!
But the folder that appeared after decompression of the tarball was
actually the regressiontests-4.6.2.
Regarding the benchmark, I tryied to compile with gcc 4.7, but without
success. Then I gave icc a try. But can't recall right now the reason
for the compilation failure with gcc 4.7.
I'll try to check it again and post it here.
Thanks again,
Herbert
Message: 1
Date: Wed, 11 Sep 2013 14:23:17 +0200
From: Mark Abraham <mark.j.abra...@gmail.com>
Subject: Re: [gmx-users] Many failed tests in gromacs 4.6.3
installation
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Message-ID:
<CAMNuMARce0tz-1CoJAiZM51VT9C3gWq=qcuuzedioqdlj1b...@mail.gmail.com>
Content-Type: text/plain; charset=ISO-8859-1
Various things changed after 4.6.1, such that the 4.6.1 tests cannot
be used to verify correctness of more recent versions. Unfortunately,
the install guide got out of sync there. I've changed the link so that
it directs you to the 4.6.3 test set. Please try that, and I expect
you'll have no problems.
It would be interesting to hear if you can get better mdrun
performance with icc 14 than you can with latest gcc.
Mark
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