On Feb 23, 2011, at 6:16 AM, Tom Dupree wrote: > 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?) To my knowledge there are no workarounds for gcc 4.1.x compiler bugs in the newer Gromacs versions.
> Secondly I read this as GCC 4.2.x and greater should be fine. (confirm/deny?) Yes. You could also use the Intel compiler which will typically give you one or two percent extra performance. But do not expect too much. Carsten -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
