None from me--how many steps in do the changes appear?
On Tue, Nov 10, 2020 at 5:54 PM Scott Le Grand <varelse2005.gmail.com>
wrote:
> So, not surprisingly, *fixing* this GTI-dependent change, breaks 3 GTI
> tests in DPFP suggesting that this is not a valid optimization to me.
> Looking at the diffs, I propose updating the reference outputs. Any
> objections?
>
> On Tue, Nov 10, 2020 at 12:57 PM Scott Le Grand <varelse2005.gmail.com>
> wrote:
>
> > I suspect we could calculate a safe number of steps past a rebuild to
> skip
> > in your turbo mode. But that's for another day. This code needs to go...
> >
> >
> > On Tue, Nov 10, 2020 at 12:56 PM David Cerutti <dscerutti.gmail.com>
> > wrote:
> >
> >> Yep. skin_permit should avoid rebuilds if the test passes the more
> >> permissive threshold. And I do actually seem to remember seeing that
> >> code,
> >> or something to the effect "don't rebuild pair list if we just created
> it"
> >> in the comments as I was working on the turbo mode. So whatever that
> code
> >> is, it is pretty ancient and may affect test cases if we purge it, even
> >> though that is probably a good idea.
> >>
> >> Dave
> >>
> >>
> >> On Tue, Nov 10, 2020 at 3:51 PM Scott Le Grand <varelse2005.gmail.com>
> >> wrote:
> >>
> >> > So looking at skin_permit, it looks like I can blow away this junk and
> >> > skin_permit will do the rest?
> >> >
> >> > On Tue, Nov 10, 2020 at 12:16 PM Scott Le Grand <
> varelse2005.gmail.com>
> >> > wrote:
> >> >
> >> > > ~line 2000 of kNeighborList.cu:
> >> > >
> >> > > extern "C" void kNLSkinTest(gpuContext gpu)
> >> > > {
> >> > > static unsigned counter = 0;
> >> > > static unsigned lastCounter = gpu->sim.skinnb * 14;
> >> > >
> >> > > int counterCut = lastCounter*0.2;
> >> > > unsigned interval = 1;
> >> > > if (counter++ > counterCut && (counter % interval) == 0) {
> >> > >
> >> > > etc...
> >> > >
> >> > > Not only is this uncool, it's done with local static variables which
> >> is
> >> > > just horrible...
> >> > >
> >> > > On Tue, Nov 10, 2020 at 12:07 PM David Cerutti <dscerutti.gmail.com
> >
> >> > > wrote:
> >> > >
> >> > >> I wasn't aware of the code doing anything like NB skin tests only
> >> every
> >> > >> other step. The "turbo" mode is enabled by setting skin_permit to
> a
> >> > value
> >> > >> between 0.5 and 1.0. See here:
> >> > >>
> >> > >> http://ambermd.org/GPUPerformance.php
> >> > >>
> >> > >> Where in the code is the call to the pairlist check being skipped
> on
> >> > half
> >> > >> the steps?
> >> > >>
> >> > >> Dave
> >> > >>
> >> > >>
> >> > >> On Tue, Nov 10, 2020 at 2:03 PM Scott Le Grand <
> >> varelse2005.gmail.com>
> >> > >> wrote:
> >> > >>
> >> > >> > At some point, PMEMD stopped doing NB skin tests every step and
> it
> >> now
> >> > >> does
> >> > >> > them every other step. No matter what your view on the validity
> of
> >> > doing
> >> > >> > so, doing this under the hood all the time without informing the
> >> user
> >> > is
> >> > >> > uncool to the max.
> >> > >> >
> >> > >> > I am turning this off by default. Any objections? Dave, how does
> >> one
> >> > >> enable
> >> > >> > your turbo mode? Because this seems cool there, just not on 100%
> of
> >> > the
> >> > >> > time with no option to turn it off.
> >> > >> >
> >> > >> > Scott
> >> > >> > _______________________________________________
> >> > >> > AMBER-Developers mailing list
> >> > >> > AMBER-Developers.ambermd.org
> >> > >> > http://lists.ambermd.org/mailman/listinfo/amber-developers
> >> > >> >
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> >> > >>
> >> > >
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> >> > http://lists.ambermd.org/mailman/listinfo/amber-developers
> >> >
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> >> http://lists.ambermd.org/mailman/listinfo/amber-developers
> >>
> >
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Received on Tue Nov 10 2020 - 15:30:02 PST
