[gmx-developers] GROMACS OpenCL on Gallium

[Szilárd Páll]

Hi!

My reply got quite delayed, sorry about that.

Just wanted to let you know that I am personally interested in getting
Gallium support to work. I can't drive the work, ATM have very limited time
to put into this, but I would love to help with fixing small things and
with code review!

It would be nice to be able to use GROMACS on GPUs without any proprietary
stuff. I'm sure distros will be happy to be able to provide a GROMACS
package with no proprietary dependencies for GPUs. Of course, the
performance matters too, but first thing is to get it to work.

If somebody is interested in taking up the task of driving the work, please
file a (some) redimine issue (list the concrete tasks if they're known)!

Cheers,
--
Szilárd


On Tue, Oct 20, 2015 at 8:45 PM, Vedran Miletić <rivanvx at gmail.com> wrote:

> Hello,
>
> is there any interest for extending GROMACS OpenCL support to include
> Gallium for Radeon cards and perhaps others?
>
> (Background: We have a machine in our lab with Debian
> unstable/experimental and latest Kernel/DRM/LLVM/Mesa and an AMD
> Caicos card, set up a couple of years ago in hope that AMD will make
> completely open source OpenCL stack work at some point. After recent
> updates, we managed to run hello world examples and parts of ViennaCL
> benchmark.)
>
> Running gmx mdrun on Radeon HD 7450 on Kernel 4.2.3 and Mesa 11.0.2
> results in
>
> Fatal error:
> Failed to compile NBNXN kernels for GPU #AMD CAICOS (DRM 2.43.0, LLVM
> 3.7.0)
>
> This creates a file named nbnxn_ocl_kernels.cl.FAILED with the
> following information:
>
> Compilation of source file failed!
> -- Used build options: -DWARP_SIZE_TEST=64 -D_AMD_SOURCE_
> -DGMX_OCL_FASTGEN_ADD_TWINCUT -DEL_EWALD_ANA -DEELNAME=_ElecEw
> -DVDWNAME=_VdwLJ -DCENTRAL=22 -DNBNXN_GPU_NCLUSTER_PER_SUPERCLUSTER=8
> -DNBNXN_GPU_CLUSTER_SIZE=8 -DNBNXN_GPU_JGROUP_SIZE=4
> -DNBNXN_AVOID_SING_R2_INC=1.0e-12f
> -I"/usr/local/gromacs/share/gromacs/opencl"
> --------------LOG START---------------
> input.cl:59:10: fatal error:
> 'nbnxn_ocl_kernels_fastgen_add_twincut.clh' file not found
> input.cl:45:36: note: expanded from macro 'FLAVOR_LEVEL_GENERATOR'
> ---------------LOG END----------------
>
> Is there any interest in supporting this configuration? Is there
> anyone besides us who would run GROMACS on Gallium and Radeon cards?
>
> Regards,
> Vedran
>
> --
> Vedran Miletić
> http://vedranmileti.ch/
> --
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