[gmx-developers] Branches w/working OpenCL support
pall.szilard at gmail.com
Sun May 31 22:15:49 CEST 2015
Thanks for testing!
On Sun, May 31, 2015 at 4:25 PM, Mirco Wahab
<mirco.wahab at chemie.tu-freiberg.de> wrote:
> After getting an unused ATI card, I tried installing
> gromacs-opencl from streamcomputing (2015-05-30) on
> a windows 8 box.
> After fixing two very small problems, I got it compiled
> smoothly w/VS 2013 (VC12) and linked against ATI's actual
Those could be fixed in the code version that's on gerrit - although
most changes have been backported to the Streamcomputing github repo,
If they are not, could you post the fixes so we can get them into the
> The resulting mdrun now identifies itself as "VERSION 5.1-dev"
> and is, to my complete bafflement, able to run the "official"
> gromacs benchmarks with speedups known from comparable NV cards
I'm curious how do you define "comparable"? :)
In any case, performance is not too bad, but the AMD drivers and
compilers are somewhat fragile.
> without experiencing a single crash. Great work!
> Timings for this fairly old CPU/GPU combination:
> System: Windows-8/x64, VS 2013, APP-SDK 3.0.0-beta,
> CPU - AMD Phenom2-X6 1100t (SSE2),
> GPU - R9-270X (Pitcairn, OpenCL 1.2 AMD-APP)
> rnase-cubic (ns/day):
> RF: CPU - 24.9 CPU/GPU - 58.8
> PME: CPU - 14.7 CPU/GPU - 37.1
> villin-vsites (ns/day):
> RF: CPU - 150.5 CPU/GPU - 392.7
> PME: CPU - 212.0 CPU/GPU - 284.2
Could you please share log files (would be great if you could repeat
each run 2-3 times)? There are some overheads we observe on Linux
which may or may not affect the Windows builds.
> Q: In the streamcomputing-version one can find a opencl.md and
> a OpenCLTODOList which date back to 2015-02, and the opencl-
> sources (*ocl.*), but where are ocl-related files in the
> gromacs tree or what special branch contains these? I'd
> like to test these on a windows box and share the outcome.
Use the version in review on gerrit I linked above, that's the most up
to date code.
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