[gmx-developers] Introduction and a quick question

Roland Schulz roland at utk.edu
Mon Nov 25 21:46:53 CET 2013

On Mon, Nov 25, 2013 at 2:29 PM, Tharrington, Arnold N. <arnoldt at ornl.gov>wrote:

>  Hi all,
> I’m new to the GROMACS community. I work at Oak Ridge National Laboratory
> for NCCS where our flagship machine is Titan. We have several users that
> use GROMACS as their primary MD code. One in particularly is Roland Schultz
> – one of your developers.  I would like to become involved with the GROMACS
> community in order to provide better support on Titan.
> In addition, I see where Szilard Pall has fixed for Bug #1385 “
> http://redmine.gromacs.org/issues/1385“ . The geritt webpage says the
> changes have been merged. I tried to download the changes with the
> following command “git fetch https://gerrit.gromacs.org/gromacsrefs/changes/80/2780/3 && git checkout FETCH_HEAD”. However I get then
> following error message:
> fatal: Not a git repository (or any parent up to mount point
> /autofs/na4_home2)
> Stopping at filesystem boundary (GIT_DISCOVERY_ACROSS_FILESYSTEM not set).

As Szilard wrote the easiest is to get the latest branch. But if you don't
want the commits since this fix has been merged you need to do: "git init
gromacs; cd gromacs" before the fetch. The fetch assumes you are already in
a valid git folder. So after you did the clone it works too.



ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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