I do agree that it is reasonable to install a newer gcc, especially if
there is a code reason why 4.4 is much preferable over 4.1. However, for
the sake of the discussion I will note that RedHat/CentOS 5.6 (which uses
gcc4.1) was released just 5 years ago, so my computers are not as horribly
out of date as one might think.
Cheers,
Brent
On Thu, Mar 10, 2016 at 12:38 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Current git master:
>
> Only tried serial pmemd.
>
> On a 'to be released in a few months Intel Xeon chip' (Can't give more
> details due to NDA).
>
> gcc version 4.8.5 20150623 (Red Hat 4.8.5-4) (GCC)
> DHFR NPT 4fs - 4.51 ns/day
>
> icc version 16.0.1 (gcc version 4.8.5 compatibility)
> DHFR NPT 4fs - 5.95 ns/day
>
>
> So quite a difference - would be slightly more if I added MKL.
>
> All the best
> Ross
>
> > On Mar 10, 2016, at 04:42, David A Case <david.case.rutgers.edu> wrote:
> >
> > On Thu, Mar 10, 2016, Gerald Monard wrote:
> >>
> >> Could there be a way to have (decide on?) a list of OS + compilers for
> >> which Amber _should_ compile correctly and all tests pass. I wouldn't
> >> mind of course for a list of OS+compilers for which it would be "nice"
> >> that it works also well.
> >
> > If you have not yet done so, please visit the Amber wiki page:\\
> >
> > http://ambermd.org/pmwiki/pmwiki.php/Main/Amber16Test
> >
> > I suspect that we (and our users) get relatively little benefit from all
> the
> > work that goes into supporting the Intel and PGI compilers, especially
> the
> > former, which has a different set of bugs in every release.
> >
> > It would be nice if some kind soul with some free time could run a pmemd
> > benchmark (say jac) comparing Intel vs gnu5 on a somewhat modern chip.
> > Also, is cpptraj time-constrained enough to warrant the extra
> optimizations
> > that might come from a proprietary compiler? Do we know anything about
> clang
> > vs gnu for cpptraj?
> >
> > I'm willing to be persuaded: almost all my simulations are on GPUs now,
> where
> > there is little need for proprietary compilers.
> >
> > ...dac
> >
> >
> > _______________________________________________
> > AMBER-Developers mailing list
> > AMBER-Developers.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
--
_______________________________________________
Brent P. Krueger.....................phone: 616 395 7629
Professor.................................fax: 616 395 7118
Hope College..........................Schaap Hall 2120
Department of Chemistry
Holland, MI 49423
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Received on Thu Mar 10 2016 - 10:00:07 PST
