[gmx-users] All tests failed

[Florian Dommert]

Ramadas Sunil Pophale wrote:
> Dear gromacs users,
>
> I have configured, made and installed gromacs successfully on a linux
> machine in my home directory (I am not root). I used mkl library from
> /opt/intel/mkl/9.1.023, however when I tried to run 'make tests'
> all the tests in all the categories failed.
>
> Those from simple, complex and kernel failed because they could ot locate
> the following file
>
> No topol.tpr file in kernel334. grompp failed
> FAILED. Check files in kernel334
>
> while in fact that file is there in all the respective directories. Also,
> the tests in pdb2gmx failed with the following message.
>
> readline() on closed filehandle PIPE at ./gmxtest.pl line 343.
>
> I am guessing/hoping it's some trivial thing.
>
> Using bash shell and the gmxtest directory is in the gromacs source
> directory.
>
> Thanks in advance for your help.
>
> Have a nice day!
>
> Ramdas Pophale.
>
>
>   
Hello Ramdas,

 if all test fail and you succeeded in installing the software, perhaps
the binaries of gromacs are not
in your PATH. Depending on your shell you should source the according
file; e.g for bash:

  source /home/user/local/gromacs/bin/GMXRC.bash (look wiki for more info)

Flo



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-- 
Florian Dommert
Dipl.-Phys.

Computational and Theoretical Softmatter & Biophysics group

Frankfurt Institute for Advanced Studies
Johann-Wolfgang-Goethe University

Ruth-Moufang-Str. 1
60438 Frankfurt am Main

Phone: +49(0)69 / 798 - 47522
Fax:   +49(0)69 / 798 - 47611

EMail: dommert at fias.uni-frankfurt.de
Home: http://fias.uni-frankfurt.de/~simbio/Florian_Dommert


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