[gmx-users] mgxtest failed.

[David van der Spoel]

Dr. Niharendu Choudhury wrote:
> Hi all users,
> I have successfully installed gromacs-3.3.3 with fftw-3.1.2 in a LINUX
> cluster x86_64 machines with both enable-mpi option and without it. But after 
> compilation in each of the two cases (with and without mpi) when I ran 
> make tests 
> following errors/failed messages result for all the simple and complex tests. 
> Can anybody help me? Part of the on-screen messages are as follows:
> 
> 
> No topol.tpr file in angles1. grompp failed
> FAILED. Check files in angles1
> No topol.tpr file in angles125. grompp failed
> FAILED. Check files in angles125
> No topol.tpr file in bham. grompp failed
> FAILED. Check files in bham
> No topol.tpr file in bonds1. grompp failed
> ...........

Most likely grompp is not in your search path. Check grompp.out in the 
subdirectories.
> 
> 
> Sincerely
> Niharendu Choudhury
> 
> 
>  *************************************************************************
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-- 
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se