[gmx-users] using gromacs with an specific GCC

Nathalia Garces natsgarces at gmail.com
Mon Oct 10 18:51:20 CEST 2011

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, my problem is that I don't know how to specify to Gromacs to use the
newer version. I've seen that you can specify which gcc to use while you
configure the program, but I found no information of how to specify which
compiler to use while running a MD simulation??.. I mean when using mdrun
command or even while using every command in Gromacs.

Thank you for four answer

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