[gmx-users] Re: gromacs from git source and openmm failed

Rossen Apostolov rossen.apostolov at cbr.su.se
Thu Aug 12 15:03:25 CEST 2010


On 8/12/10 2:43 PM, Alan wrote:
> Thanks Rossen,
> > Try it again with the latest release-4-5-branch, Erik added a lot of 
> fixes.
> Indeed, when I did my report *was* with Erik's mods, which I am 
> afraid, was what broke the compilation.
> I am using 'git log':
> Author: Rossen Apostolov <rossen at cbr.su.se <mailto:rossen at cbr.su.se>>
> Date:   Thu Aug 12 11:20:18 2010 +0200
>     Fixed a reverted version string in configure.ac <http://configure.ac>
You have compiled the master branch.

During the current release stage all development work and fixes first go 
in the release-4-5-patches branch, as I wrote. Later those fixes will be 
merged in the master.

Since you have already cloned the repository, you should do:

$ git checkout -t origin/release-4-5-patches

This branch is under heavy development so it may not even compile 
sometimes. Do regular $ git pull to keep updated.
> BTW, is there simpler way to say the "revision number" in git like 
> 'svn info'?
If you run

$ git log -n 1
commit 617c955b9154e2361b3240ede285f3094e5dc621
Author: Rossen Apostolov <rossen at cbr.su.se>
Date:   Thu Aug 12 14:22:45 2010 +0200

     OpenMM: added support for AmberFF proper/improper torsion potentials.

"commit" is the identifier that would roughly correspond to a "revision" 
in SVN, but the two systems have conceptual differences and the terms 
are not equivalent.

Have a look at some tutorials on the web for a detailed description.

Also, mdrun prints out information about the commit it was compiled from:

$ mdrun
:-)  mdrun-gpu  (-:

Back Off! I just backed up md.log to ./#md.log.1#
Getting Loaded...
Reading file topol.tpr, VERSION 4.5-beta3-dev-20100812-617c9 (single 

"617c9" are the first characters of the commit (compare to the git log 
command above)

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