[gmx-users] problems installing and running gromacs with 64bit suse linux 9.2
s0237717 at sms.ed.ac.uk
Tue Dec 20 19:22:36 CET 2005
Dear user group folk
I've recently installed gromacs from the suse 9.2 installation CD.
However, how do I now get it to run? I;ve tried using the commands
"load module gromacs"
however, i get an error message saying:
"Error, module command not found"
In addition to simply using the rpm download, I have also tried
compiling from source code. the ./configure script works fine, but
crashes out when checking FFTW, which gives the following error messages:
" checking for main in -lfftw... no
configure: error: Can't find a library to match the fftw header"
I have installed the FFTW packages, and modified the environment
variables appropriately for CPPFLAGS and LDFLAGS.
So, in short please can either:
1. Explain how I can get the initial binary package to run (i.e. how to
invoke this "module" command, for example)
2. Explain how I can compile from scratch without error messages.
My system is this:
Suse linux 9.2 on Xeon EM64T processor.
I would very much appreciate any help you could offer.
many thanks in advance
University of Edinburgh Chemistry Department
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