Hi, OK. That might be hard to work out how to fix, because I'm not sure we have a Mac+AMD machine around. My guess is that somehow the compilation in the driver assumes the use of xcode compilers, so that might be a thing for you to try. The file it can't find is one that is installed as part of GROMACS, but which is in a path that ought to be given to the OpenCL compiler with -I. Yet somehow that is lost.
Mark On Mon, Aug 14, 2017 at 2:52 PM Steffen Graether <graet...@uoguelph.ca> wrote: > Hi Mark, > > Here are the results for a few different runs: > > (1) gmx mdrun -v -deffnm md_0_1 -nb cpu > Runs fine and completes > > (2) gmx mdrun -v -deffnm md_0_1 > Gives a similar error message: > ------------------------------------------------------- > Program: gmx mdrun, version 2016.2 > Source file: src/gromacs/gpu_utils/ocl_compiler.cpp (line 482) > Function: cl_program gmx::ocl::compileProgram(FILE *, const std::string > &, const std::string &, cl_context, cl_device_id, ocl_vendor_id_t) > MPI rank: 0 (out of 2) > > Internal error (bug): > Failed to compile NBNXN kernels for GPU #AMD Radeon HD - FirePro D500 > Compute > Engine > Could not build OpenCL program, error was CL_INVALID_BUILD_OPTIONS > > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > ------------------------------------------------------- > > (3) gmx mdrun -v -deffnm md_0_1 -gpu_id 0 > Gives the same as (2) > > Regards, > Steffen > > > > 1. Re: Recent successful compile on Mac Pro with OpenCL? Failing > Test #20: MdrunTests (Mark Abraham) > > > From: Mark Abraham <mark.j.abra...@gmail.com<mailto: > mark.j.abra...@gmail.com>> > Subject: Re: [gmx-users] Recent successful compile on Mac Pro with OpenCL? > Failing Test #20: MdrunTests > Date: August 14, 2017 at 8:12:38 AM EDT > To: gmx-us...@gromacs.org<mailto:gmx-us...@gromacs.org>, " > gromacs.org_gmx-users@maillist.sys.kth.se<mailto: > gromacs.org_gmx-users@maillist.sys.kth.se>" < > gromacs.org_gmx-users@maillist.sys.kth.se<mailto: > gromacs.org_gmx-users@maillist.sys.kth.se>> > > > Hi, > > That's a bit mysterious, because we check that that works in our automated > testing. If running a simulation works then everything is fine, but it's > possible the same error arises. Can you try that, please, and report back? > > Mark > > On Fri, 11 Aug 2017 23:48 Steffen Graether <graet...@uoguelph.ca<mailto: > graet...@uoguelph.ca>> wrote: > > Hi, > > I am trying to compile GROMACS 2016.3 on a Mac Pro (Late 2013) running > macOS 10.12.6. I can get it to compile fine and it can run my own > simulation fine on CPU only, but I am having difficulty getting to work > with the GPU (FirePro D500). > > Used cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=on -DGMX_USE_OPENCL=on > -DREGRESSIONTEST_DOWNLOAD=ON > > Tried both clang (version 8) and gcc (version 7), also tried 2016.2 but I > always get this error from Test #20: MdrunTests: > > ******* > Compilation of source file > /Users/graether/Downloads/tmp/gromacs-2016.3/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 -DNBNXN_MIN_RSQ=3.82e-07f -DIATYPE_SHMEM > -cl-fast-relaxed-math > -I/Users/graether/Downloads/tmp/gromacs-2016.3/src/gromacs/mdlib/nbnxn_ocl > --------------LOG START--------------- > <program source>:61:10: fatal error: 'nbnxn_ocl_kernels.clh' file not found > #include FLAVOR_LEVEL_GENERATOR > ^ > <program source>:49:36: note: expanded from macro 'FLAVOR_LEVEL_GENERATOR' > #define FLAVOR_LEVEL_GENERATOR "nbnxn_ocl_kernels.clh" > ^ > ---------------LOG END---------------- > > ------------------------------------------------------- > Program: mdrun-test, version 2016.3 > Source file: src/gromacs/gpu_utils/ocl_compiler.cpp (line 482) > Function: _cl_program* gmx::ocl::compileProgram(FILE*, const string&, > const string&, cl_context, cl_device_id, ocl_vendor_id_t) > > Internal error (bug): > Failed to compile NBNXN kernels for GPU #AMD Radeon HD - FirePro D500 > Compute > Engine > Could not build OpenCL program, error was CL_BUILD_PROGRAM_FAILURE > > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > ****** > > All the other tests are successful. > > Regards, > Steffen > > > -- > > -- > 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.