[gmx-developers] GROMACS OpenCL on Gallium

[Vedran Miletić]

2015-10-20 20:45 GMT+02:00 Vedran Miletić <rivanvx at gmail.com>:
> 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----------------
>

More info: the above issue is problem with include path, not sure why
it happens, I will debug at some point. After symlinking all our .clh
from <prefix>/gromacs/share/gromacs/opencl to /usr/local/include I got
the following:

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---------------
In file included from input.cl:59:
In file included from
/usr/local/include/nbnxn_ocl_kernels_fastgen_add_twincut.clh:60:
/usr/local/include/nbnxn_ocl_kernel_utils.clh:58:44: error: use of
undeclared identifier 'CLK_NORMALIZED_COORDS_FALSE'
/usr/local/include/nbnxn_ocl_kernel_utils.clh:59:47: error: use of
undeclared identifier 'CLK_ADDRESS_NONE'
/usr/local/include/nbnxn_ocl_kernel_utils.clh:60:47: error: use of
undeclared identifier 'CLK_FILTER_NEAREST'
---------------LOG END----------------

I will explore this further and report back.

Regards,
Vedran

-- 
Vedran Miletić
http://vedranmileti.ch/