Re: [AMBER-Developers] yet more on cuda_DPDP problems

From: Scott Le Grand <SLeGrand.nvidia.com>
Date: Tue, 15 Feb 2011 17:20:59 -0800

Yes... I recognize something's not working at your end though...


-----Original Message-----
From: Ross Walker [mailto:rosscwalker.gmail.com]
Sent: Tuesday, February 15, 2011 17:16
To: AMBER Developers Mailing List
Cc: Scott Le Grand
Subject: Re: [AMBER-Developers] yet more on cuda_DPDP problems

Scott,

When you made the latest performance updates did you keep things intact for both SPSP and DPDP?

Is there reason to expect that it should still work?

All the best
Ross



On Feb 15, 2011, at 17:11, case <case.biomaps.rutgers.edu> wrote:

> One more piece of the puzzle on the recent cuda_DPDP: I recompiled with
> Scott's latest (15 feb) updates to kNTPKernels.h (using gcc 4.4.0).
>
> Now I get a different error:
>
> [case.nikkagpu]~/amber11/benchmarks/jac% ./bench.jac.cuda &
> [1] 29813
> [case.nikkagpu]~/amber11/benchmarks/jac% cudaMemcpyToSymbol: SetSim copy to
> cSim failed all CUDA-capable devices are busy or unavailable
>
>
> This happens if I set the GPU_ID to -1. Somehow, it can't choose which of 8
> C2050's to run on. (This has not happened to me before).
>
> If I explicitly choose a GPU_ID, SPDP works, DPDP fails:
>
> [case.nikkagpu]~/amber11/test/cuda/jac% Run.jac 0 SPDP netcdf.mod
> diffing jac.out.GPU_SPDP with jac.out
> PASSED
> ==============================================================
> [case.nikkagpu]~/amber11/test/cuda/jac% Run.jac 0 DPDP netcdf.mod
> Error: invalid argument launching kernel kNLBuildNeighborList
> Run.jac: Program error
>
> (I'll send the files for a test case that seems to run slower with the new
> code than the old in a separate email.)
>
> ...thx...dac
>
>
>
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> AMBER-Developers.ambermd.org
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