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
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Received on Thu Mar 10 2016 - 05:00:07 PST
