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

rashmi at chem.iitb.ac.in rashmi at chem.iitb.ac.in
Tue Oct 5 16:33:41 CEST 2010

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.

So I plan to install a compatible version of gcc, for eg. gcc-4.0.4, in my
home directory and then install gromacs 4.5.1 using this compiler. Will
this be ok?

I am asking this question because the new gcc i will install will be
compiled with the so called broken compiler version gcc 4.1.2 (which i
cannot change). Is this the correct way to ensure that i do not compile
gromcas with a broken compiler.

Please do reply. Thanxs in advance.

IIT Bombay

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