[gmx-users] Compiler and OS issue in gromacs

Manik Mayur manik.mayur at gmail.com
Mon Mar 23 06:56:37 CET 2009

On Mon, Mar 23, 2009 at 10:31 AM, <alkasrivastava at iitb.ac.in> wrote:

> Hello everyone,
> There is following warning given in the GROMACS home page,
> --------------------
> WARNING: do not use the gcc 4.1.x set of compilers. They are broken. These
> compilers come with recent Linux distrubutions like Fedora 5/6 etc.
> --------------------
> Can anyone please tell me that whether the problem is only with the 4.1.x
> series or with compilers of higher series also (like 4.2 or 4.3 series of
> compilers)? Can we use the fedora core 10 which comes with the latest
> 4.3.2 series of compilers?

gcc > v4.1.x is fine.

> Also is it possible that we install 4.0 series of compiler in the
> operating system with higher series of compilers and use gromacs then.

yes it is possible.

We bought a new system but that is not supporting fedora core 4 so we are
> wondering which operating system should be used or if any alternative is
> there.

I have used Gromacs on Ubunty Hardy(8.04) and Suse without any issue.

Kindly help me. I am i great confusion.
> Thanks in advance
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Manik Mayur
Graduate student
Microfluidics Lab
Dept. of Mechanical Engg.
IIT Kharagpur
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