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.
