[gmx-users] Gromacs 5.0 compilation slower than 4.6.5. What went wrong ?

[Szilárd Páll]

Please post the command lines you used to invoke mdrun as well as the
log files of the runs you are comparing.

Cheers,
--
Szilárd


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 ?
>
> Thanks.
>
> Best Regards,
> D.
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