~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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Received on Tue Nov 10 2020 - 12:30:02 PST
