[gmx-users] GROMACS installation query

Tom Dupree t.dupree at unsw.edu.au
Wed Feb 23 06:16:14 CET 2011

Greetings all,

I am new to Linux and wish to confirm  some facts before I press on with the installation.

In the installation guide, http://www.gromacs.org/Downloads/Installation_Instructions
There is a line saying  "...Where assembly loops are in use, GROMACS performance is largely independent of the compiler used. However the GCC 4.1.x series of compilers are broken for GROMACS, and these are provided with some commodity Linux clusters. Do not use these compilers!..."

Firstly I assume this still applies to GROMACS version 4.5 and not just to earlier ones. (Confirm/deny?)
Secondly I read this as GCC 4.2.x and greater should be fine. (confirm/deny?)

Thank you for your time,

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