[gmx-users] Many failed tests in gromacs 4.6.3 installation

Herbert Georg hcgeorg at ufg.br
Wed Sep 11 16:03:31 CEST 2013

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,

> Message: 1
> Date: Wed, 11 Sep 2013 14:23:17 +0200
> From: Mark Abraham <mark.j.abraham at gmail.com>
> Subject: Re: [gmx-users] Many failed tests in gromacs 4.6.3
> 	installation
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID:
> 	<CAMNuMARce0tz-1CoJAiZM51VT9C3gWq=qcuUZEDioQdLj1b96Q at 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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