Re: [gmx-users] using gromacs with an specific GCC

2011-10-12 Thread Szilárd Páll
Hi Nathalia, Right, gcc 4.1 is quite controversial as these is bug in it which is though to be causing mdrun crashes. So you better stay away from 4.1 as well as from other old gcc versions. I'd recommend 4.5 or 4.6 as these have gotten really good, even compared to icc - at least when it comes to

Re: [gmx-users] using gromacs with an specific GCC

2011-10-10 Thread Justin A. Lemkul
Nathalia Garces wrote: Good morning, I'm trying to use Scientific Linux 5.5 to run Gromacs 4.5.4. The problem is that the default version of gcc in this distribution is 4.1, which is broken for Gromacs!! I can install a newer version of gcc in compatible mode with gcc 4.1, but the last one

[gmx-users] using gromacs with an specific GCC

2011-10-10 Thread Nathalia Garces
Good morning, I'm trying to use Scientific Linux 5.5 to run Gromacs 4.5.4. The problem is that the default version of gcc in this distribution is 4.1, which is broken for Gromacs!! I can install a newer version of gcc in compatible mode with gcc 4.1, but the last one will still be the default. Now