[gmx-users] Having Problem with Gromacs Regressiontests

[Todor Antonijevic]

Hi,

Results:

All 16 simple tests PASSED
All 19 complex tests PASSED
All 142 kernel tests PASSED
All 9 freeenergy tests PASSED
All 12 rotation tests PASSED
All 0 extra tests PASSED
All 42 pdb2gmx tests PASSED

Thank you very much


On Sun, Jul 13, 2014 at 6:00 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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
>
> ==================================================
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>