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
>> > _______________________________________________
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>> > AMBER-Developers.ambermd.org
>> > http://lists.ambermd.org/mailman/listinfo/amber-developers
>> >
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>
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Received on Tue Nov 10 2020 - 13:00:03 PST
