[gmx-users] Effect of compilers loaded at runtime

Mark Abraham mark.j.abraham at gmail.com
Tue Feb 23 10:36:27 CET 2016


Very likely not, but technically the answer can depend how the compiler
toolchain sets up things like dynamic loading of libraries. You can perhaps
explore that effect with the command line tools ldd and objdump on the gmx
executable. You could read the Intel docs, but they'll just say "yes it is
possible to see changed behaviour."


On Mon, Feb 22, 2016 at 8:06 AM Dries Van Rompaey <
dries.vanrompaey at gmail.com> wrote:

> Hi,
> I'm wondering if the version of the intel toolchain loaded when calling
> mdrun affects results? My gromacs version was compiled with intel/2015b -
> would it matter if module intel/2016b was loaded at runtime?
> Thanks
> Dries
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