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 > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > -- 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: [EMAIL PROTECTED] Home: http://fias.uni-frankfurt.de/~simbio/Florian_Dommert
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