[gmx-users] gromacs 4.5.3 and GCC 4.1.x

Efrat Exlrod Efrat.Exlrod at biu.ac.il
Wed Nov 23 14:14:07 CET 2011


I want to install standard gromacs 4.5.5 on a new linux machine, prior to installing GPU accelerated gromacs. Looking at the installation instructions I see you recommend not to use GCC 4.1.x series of compilers.

A year ago I have installed gromacs 4.5.3 and I don't recall seeing the recommendation of not using the GCC 4.1.x compilers. The gcc version of the computer on which I installed is:

/usr/bin/gcc -v ==> /u/gcc version 4.1.2 20080704 (Red Hat 4.1.2-51).

Is there also a problem with gromacs 4.5.3 and GCC 4.1.x? Was I supposed to have trouble installing or running?

Is it possible I was able to compile and run but I can't rely on the results I got?

Thanks, Efrat
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