[gmx-users] Installation problem

Dhananjay dhananjay.c.joshi at gmail.com
Fri Dec 30 12:31:22 CET 2005


 Heeeee....

This time I am able to install completely...Without any error message.

The steps are as follows:
export CPPFLAGS=-I/usr/local/include
export LDFLAGS=-L/usr/local/lib

./configure --enable-mpi
make
make mdrun
make install
make install-mdrun
make links


Well this is the installation on one of the 16 nodes.

I want to run mdrun in parallel.

Therefore what should be the next step ?

On 12/30/05, Florian Haberl <Florian.Haberl at chemie.uni-erlangen.de> wrote:
>
> On Friday 30 December 2005 10:26, Dhananjay wrote:
> > I have just now tried
> >
> > which binutils
> >
> > The output is
> >
> > GNU which v2.14, Copyright (C) 1999 - 2001 Carlo Wood.
> > GNU which comes with ABSOLUTELY NO WARRANTY;
> > This program is free software; your freedom to use, change
> > and distribute this program is protected by the GPL.
> >
> >
> > Any suggestion please ?
> >
> take a look at http://www.gromacs.org/installation/prerequisites.php
>
> The configuration script will check this for you, and complain load
> if your version is too old. GNU Binutils 2.12 and later are know to work,
> but some earlier ones might also be OK - it is checked by the
> configuration
> script, which will complain loud if there is a problem. If your version is
> too
> old you can download and install from this source:
>
> so should be ok and you can start with compiling gromacs
>
> ./configure ...
>
>
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