[gmx-users] Installation of gromacs on a cluster with gcc version 4.1.2

Jussi Lehtola jussi.lehtola at helsinki.fi
Tue Oct 5 17:46:10 CEST 2010

On Tue, 5 Oct 2010 20:03:41 +0530 (IST)
rashmi at chem.iitb.ac.in wrote:

> Hi All,
> I want to install Gromacs 4.5.1 version on a cluster system (high
> performance computing facility) in our institute. I don't have access
> to root and thus, I have to install gromacs in my home directory.
> The problem is that, the cluster has CentOS 5.4 as the operating
> system and the gcc version is 4.1.2.
> Gromacs site says that gcc 4.1.x and above are broken compilers and
> gromacs should not be compiled using them.

I haven't had any problems with Gromacs in CentOS 5 compiled with the
system compiler. The people at Red Hat have probably fixed all the bugs
that caused the problems a long time ago.

Another possibility is to ask the admin to install the 4.4 version of
GCC, which is readily available in the distribution.
Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632

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