Re: [AMBER-Developers] request for Volunteers, part 2

From: David Cerutti <dscerutti.gmail.com>
Date: Sat, 24 Mar 2018 23:39:29 -0400

The optimization with -volta is about 10%. All of this is soon to change,
anyway, I hope, and there is precious little volta hardware out there at
the moment--it's probably mostly Titan-V, which I haven't even tested on
myself yet.

Dave


On Sat, Mar 24, 2018 at 10:08 PM, Scott Brozell <sbrozell.rci.rutgers.edu>
wrote:

> Hi,
>
> IMO, the highest priority for others tackling 3 and 4 is to build
> with the latest intel compilers (which looks like 18.0.2).
> More detailed comments below.
>
> On Sat, Mar 24, 2018 at 10:38:34AM -0400, David A Case wrote:
> > 3. Does anyone besides Scott have access to Intel 18.0 compilers?
> > Basic things like the dhfr or water tests seem to be failing there. If
> > this is reproduced, can someone put a trap in the configure2 script?
>
> Note that 18.0.2 is the latest (i used 18.0.0). My guess on the 18.0.0
> major failures is a change in optimization policy on Intel's part.
> We have been using 18.0.0 for a couple of months at OSC w/o problems,
> eg, quantum espresso and other sci. apps. But I'm skeptical of x.0.0
> versions in general.
>
> I plan to test with other older versions.
>
> > 4. The PGI compilers are favorites for some people, and we need a
> > second opinion here, vs the srb results on the wiki. If anyone has
> > access to other versions, that might be worth a shot as well.
>
> The pgi 17.10.0 results which include a number of seg faults are
> probably par. Whether lurking bugs in our code or thiers, pgi has
> frequently been more touchy. It might be prudent to mention these
> issues in a README, KNOWN_FAILURES, or the like.
>
> I plan to test with other older versions.
>
> scott
>
>
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Received on Sat Mar 24 2018 - 21:00:02 PDT
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