[gmx-users] problem in gromacs installation

Mark Abraham Mark.Abraham at anu.edu.au
Thu Feb 19 06:27:49 CET 2009

nitu sharma wrote:
> *Dear All,
> I have compiled fft-3.2.1 in a specific user directory; then configured,
> compiled gromacs-4.0.3 from source code according to directions and installed it in the
> specific directory, all without any errors, but at the end "make tests"
> command fails, the output is:
> (if test -d "gmxtest"; then cd "gmxtest"; ./gmxtest.pl all; cd ..; \
> else echo "No gmxtest directory found. Please download and unpack it
> here.";\
> fi)
> No gmxtest directory found. Please download and unpack it here.
> In addition, after "make install" the note was:
> "Make sure to update your PATH and MANPATH to find the
> programs and unix manual pages, and possibly LD_LIBRARY_PATH
> or /etc/ld.so.conf if you are using dynamic libraries."
> Could you please let me know what should I do to resolve the problem regarding make tests

Don't worry - like it says, you'd have to download the test set 
separately, and it's apparently broken with respect to version 4.0.x anyway.

>  and what should I do about the note on PATH and MANPATH? 

That seems out-of-date to me. There's a simpler approach described here: 
http://wiki.gromacs.org/index.php/Installation which will work for 99% 
of Linux situations.


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