[gmx-developers] GROMACS OpenCL on Gallium

[Vedran Miletić]

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/