Is there a proper set of tests for gmx 4.5 because neither
ftp://ftp.gromacs.org/pub/tests/gmxtest-4.0.4.tgz or "git clone git://
git.gromacs.org/regressiontests.git" is working due to the several
modifications done in gmx 4.5 including automatic thread for mdrun (I am
using a Mac with dual core) a
Hi,
The tests haven't been ported to 4.5 yet but I hope to fix that before
the final release.
Rossen
On 7/31/10 7:08 PM, Alan wrote:
Is there a proper set of tests for gmx 4.5 because neither
ftp://ftp.gromacs.org/pub/tests/gmxtest-4.0.4.tgz or "git clone
git://git.gromacs.org/regressionte
and not release. Thoughts?
Mark
- Original Message -
From: Rossen Apostolov
Date: Wednesday, August 4, 2010 17:56
Subject: Re: [gmx-users] tests for gmx 4.5
To: gmx-users@gromacs.org
---
|
> Hi,
>
>
a
hypothetical GROMACS 3.3.4 that is useful for making test set
reference calculations, should we make such a release? Alternatively,
we can just announce that the reference data was generated by the
3-3-version with a given git hash and not release. Thoughts?
Mark
----- Original Message
t the reference data was generated by the
3-3-version with a given git hash and not release. Thoughts?
Mark
- Original Message -
From: Rossen Apostolov
Date: Wednesday, August 4, 2010 17:56
Subject: Re: [gmx-users] tests for gmx 4.5
To: gmx-users@gromacs.org
> Hi,
>
> The tests haven
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