We had some issues with the OS X OpenCL compilers being "special" and not accepting standard ways of passing include arguments.
Can you try editing the src/gromacs/gpu_utils/gpu_utils_ocl.cpp file and replace "#ifdef __APPLE__" with "#if 0", compile the code and see if that works? -- Szilárd On Tue, Feb 19, 2019 at 2:08 AM Michael Williams < michael.r.c.willi...@gmail.com> wrote: > 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 > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
