Re: [AMBER-Developers] Request for testing new cuda code updates

From: David Cerutti <>
Date: Tue, 29 Jan 2019 15:18:24 -0500

Thanks for spurring action on this. We should even update one more thing
in configure2, that is commitment to consistent code/arch settings for each
compiled executable. Thanks to Peng Wang's commits, we are now in
compliance with the new thread model and no longer have to do this
sm60/sm70 or sm61/sm75 workaround. There is no speed advantage to it
anymore, either. Overall, because we were always so good about writing
code that executed well under warp-synchronous constraints, we lose a bit
due to the versatility CUDA 9 and 10 have introduced. __syncwarp() is
tedium for us, but a vital component of many other codes that people would
like to write on GPUs. The loss is minor, and in time the cards will just
keep getting bigger and faster, so we'll take this all in stride.


On Tue, Jan 29, 2019 at 10:52 AM David A Case <>

> Hi everyone:
> Dave Cerutti has added some new CUDA code (commit
> 4596dbe1571a33581f04f), that adds Turing and Volta-related updates to
> the CUDA codes. It adds support for CUDA 10, and gets optimized codes
> for Volta and Turing without the need for any user flags (like the '-volta'
> flag that used to be needed).
> I'm asking developers that use CUDA codes to update their master branch,
> recompile pmemd.cuda, and see if you find any problems on jobs you are
> running as a part of your ordinary work. These changes will probably
> become an update to Amber18, but we want to give them a workout
> ourselves before unleashing them on the world. (They pass all the test
> cases, but I'd like to get them exposed to a wider variety of problems as
> well.)
> If you are interested in performance issues and have the time, reported
> before/after timings, especially on Volta and Turning, would be useful.
> ...thanks...dac
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Received on Tue Jan 29 2019 - 12:30:03 PST
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