[gmx-developers] GROMACS OpenCL on Gallium

[Alexey Shvetsov]

Hi!

I tryed to run GROMACS on Mesa/OpenCL. Problem is that Radeon cards older then 
See Island/Southern Island doesnt support global atomics. But on this cards 
GROMACS should work (however i didnt tested it, since i dont have such cards 
{r9 285x or r9 38x })


В письме от Tuesday 20 October 2015 20:45:14 пользователь Vedran Miletić 
написал:
> 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

-- 
Best Regards,
Alexey 'Alexxy' Shvetsov, PhD
Department of Molecular and Radiation Biophysics
FSBI Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,
Leningrad region, Gatchina, Russia
mailto:alexxyum at gmail.com
mailto:alexxy at omrb.pnpi.spb.ru
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