[gmx-users] Having Problem with Gromacs Regressiontests

[Justin Lemkul]

On 7/13/14, 4:02 PM, Todor Antonijevic wrote:
> Hi,
>
> I am unable to test my new Gromacs 4.6.6 installation. Here are the steps
> that I perform (following
> http://www.gromacs.org/Developer_Zone/Programming_Guide/Regression_Tests) :
>
> aaaa at ubuntu:~$ git clone https://gerrit.gromacs.org/regressiontests
> Cloning into 'regressiontests'...
> remote: Counting objects: 3466, done
> remote: Finding sources: 100% (352/352)
> remote: Total 11744 (delta 194), reused 11695 (delta 194)
> Receiving objects: 100% (11744/11744), 168.70 MiB | 213 KiB/s, done.
> Resolving deltas: 100% (8689/8689), done.
> aaaa at ubuntu:~$ cd /home/aaaa/regressiontests/
> aaaa at ubuntu:~/regressiontests$ ./gmxtest.pl all -noverbose
> *ERROR: Can not find executable gmx pdb2gmx in your path.*
> *Please source GMXRC and try again.*
> aaaa at ubuntu:~/regressiontests$ which GMXRC
> /usr/local/gromacs/bin/GMXRC
> aaaa at ubuntu:~/regressiontests$ *source /usr/local/gromacs/bin/GMXRC*
> aaaa at ubuntu:~/regressiontests$ ./gmxtest.pl all -noverbose
> *ERROR: Can not find executable gmx pdb2gmx in your path.*
> *Please source GMXRC and try again.*
>
>
> I would appreciate if you could help me on this matter.
>

When you checkout the code or tests from git, you're automatically on the master 
branch, which uses 5.0 syntax and command names.  If you want to test another 
version, you have to switch to that branch.  For 4.6.6, do:

cd regressiontests
git checkout release-4-6

Then run the tests.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==================================================