[gmx-users] Compile Gromacs with OpenCL for MacBook Pro with AMD Radeon Pro 560 GPU

[Schulz, Roland]

Hi,

Does the nbnxn_ocl_kernel_pruneonly.clh file exist in the /Users/michael/.local/source/gromacs-2018.3/src/gromacs/mdlib/nbnxn_ocl folder?
When reporting errors you should always check with the latest version. The latest versions are 2019.1 and 2018.5.

Roland

> -----Original Message-----
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se
> [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of
> Michael Williams
> Sent: Monday, February 18, 2019 5:08 PM
> To: gromacs.org_gmx-users <gromacs.org_gmx-users at maillist.sys.kth.se>
> Subject: [gmx-users] Compile Gromacs with OpenCL for MacBook Pro with
> AMD Radeon Pro 560 GPU
> 
> Hi, I’ve been trying to build Gromacs 2018.3 on my MacBook Pro (in OSX
> 10.14.3). I saw online (https://redmine.gromacs.org/issues/2369
> <https://redmine.gromacs.org/issues/2369>) that Gromacs with GPU
> support via OpenCL was found to work a similar computer, but I have not had
> any luck. Is there a way to see what settings (compiler, CMake variables, etc)
> were used for that build? Or if anyone has any suggestions, I’d be very
> grateful. Thanks for your help,
> 
> Mike
> 
> The errors that I have been getting while running “make check” look like:
> 
> 
> 1 GPU auto-selected for this run.
> Mapping of GPU IDs to the 1 GPU task in the 1 rank on this node:
>   PP:0
> Compilation of source file /Users/michael/.local/source/gromacs-
> 2018.3/src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernels.cl failed!
> -- Used build options: -DWARP_SIZE_TEST=64 -D_AMD_SOURCE_ -
> DGMX_OCL_FASTGEN -DEL_CUTOFF -DEELNAME=_ElecCut -
> DLJ_COMB_GEOM -DVDWNAME=_VdwLJCombGeom -DCENTRAL=22 -
> DNBNXN_GPU_NCLUSTER_PER_SUPERCLUSTER=8 -
> DNBNXN_GPU_CLUSTER_SIZE=8 -DNBNXN_GPU_JGROUP_SIZE=4 -
> DGMX_NBNXN_PRUNE_KERNEL_J4_CONCURRENCY=4 -
> DNBNXN_MIN_RSQ=3.82e-07f -DIATYPE_SHMEM -cl-fast-relaxed-math -cl-
> denorms-are-zero -I/Users/michael/.local/source/gromacs-
> 2018.3/src/gromacs/mdlib/nbnxn_ocl
> --------------LOG START---------------
> <program source>:80:10: fatal error: 'nbnxn_ocl_kernel_pruneonly.clh' file
> not found #include "nbnxn_ocl_kernel_pruneonly.clh"
>          ^
> ---------------LOG END----------------
> 
> -------------------------------------------------------
> Program:     mdrun-test, version 2018.3
> Source file: src/gromacs/gpu_utils/ocl_compiler.cpp (line 507)
> Function:    cl_program gmx::ocl::compileProgram(FILE *, const std::string &,
> const std::string &, cl_context, cl_device_id, ocl_vendor_id_t)
> 
> Internal error (bug):
> Failed to compile NBNXN kernels for GPU #AMD Radeon Pro 560 Compute
> Engine
>   Could not build OpenCL program, error was CL_BUILD_PROGRAM_FAILURE
> --
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