[gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?
pall.szilard at gmail.com
Fri Sep 5 12:30:53 CEST 2014
Please post the command lines you used to invoke mdrun as well as the
log files of the runs you are comparing.
On Fri, Sep 5, 2014 at 12:10 PM, David McGiven <davidmcgivenn at gmail.com> wrote:
> Dear Gromacs users,
> I just compiled gromacs 5.0 with the same compiler (gcc 4.7.2), same OS
> (RHEL 6) same configuration options and basically everything than my
> previous gromacs 4.6.5 compilation and when doing one of our typical
> simulations, I get worst performance.
> 4.6.5 does 45 ns/day
> 5.0 does 35 ns/day
> Do you have any idea of what could be happening ?
> Best Regards,
> Gromacs Users mailing list
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