[gmx-users] Could not build OpenCL program, error was CL_INVALID_BUILD_OPTIONS

[Mark Abraham]

Hi,

Are you saying that different .tpr files (and/or -cpi checkpoint files)
either run or do not run with the same GROMACS installation?

A reboot is worth trying, in case the GPU driver (which contains the OpenCL
runtime, which does the compilation) is somehow in a confused state.

Mark

On Mon, Feb 20, 2017 at 3:57 PM Uliano Guerrini <uliano.guerrini at unimi.it>
wrote:

> Hi Mark,
>
> the only thing that has changed is the dataset undergoing simulation,
> before this one they all worked smoothly (and they still work, I checked).
> Single GPU doesn’t work either.
>
> uliano
>
> > On 20 Feb 2017, at 14:55, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> >
> > Hi,
> >
> > What changed between when it used to work and now it does not? GROMACS
> > version upgrade? System update? GPU driver upgrade? Phase of the moon?
> :-)
> > There's supposed to be output between LOG_START and LOG_END if the
> > compilation ran, but it seems to not have reached that point. Yet the
> > preprocessor options seem well formed.
> >
> > Does a single-GPU run work, e.g. mdrun -ntmpi 1?
> >
> > Mark
> >
> > On Mon, Feb 20, 2017 at 11:37 AM Uliano Guerrini <
> uliano.guerrini at unimi.it>
> > wrote:
> >
> >> Hi,
> >>
> >> I have gromacs 2016.2 (2016.1 was the same) installed on a MacPro with a
> >> dual AMD D500 graphic card. Mdrun used to work fine with OPENCL giving
> some
> >> nice (~3x) speed increase until the last simulation gave me this:
> >>
> >> […]
> >> Command line:
> >>  mdrun -v -s md.tpr
> >>
> >>
> >> Back Off! I just backed up md.log to ./#md.log.9#
> >>
> >> Running on 1 node with total 12 cores, 12 logical cores, 2 compatible
> GPUs
> >> Hardware detected:
> >>  CPU info:
> >>    Vendor: Intel
> >>    Brand:  Intel(R) Xeon(R) CPU E5-1650 v2 @ 3.50GHz
> >>    SIMD instructions most likely to fit this hardware: AVX_256
> >>    SIMD instructions selected at GROMACS compile time: AVX_256
> >>
> >>  Hardware topology: Only logical processor count
> >>  GPU info:
> >>    Number of GPUs detected: 2
> >>    #0: name: AMD Radeon HD - FirePro D500 Compute Engine, vendor: AMD,
> >> device version: OpenCL 1.2 , stat: compatible
> >>    #1: name: AMD Radeon HD - FirePro D500 Compute Engine, vendor: AMD,
> >> device version: OpenCL 1.2 , stat: compatible
> >>
> >> Reading file md.tpr, VERSION 2016.2 (single precision)
> >> Changing nstlist from 10 to 40, rlist from 1.2 to 1.247
> >>
> >> Using 2 MPI threads
> >> Using 6 OpenMP threads per tMPI thread
> >>
> >> 2 compatible GPUs are present, with IDs 0,1
> >> 2 GPUs auto-selected for this run.
> >> Mapping of GPU IDs to the 2 PP ranks in this node: 0,1
> >>
> >> Compilation of source file /opt/gromacs-2016.2/share/gromacs/opencl/
> >> nbnxn_ocl_kernels.cl failed!
> >> -- Used build options: -DWARP_SIZE_TEST=64 -D_AMD_SOURCE_
> >> -DGMX_OCL_FASTGEN_ADD_TWINCUT -DEL_EWALD_ANA -DEELNAME=_ElecEw
> >> -DLJ_COMB_LB  -DVDWNAME=_VdwLJCombLB -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/opt/gromacs-2016.2/share/gromacs/opencl
> >> --------------LOG START---------------
> >> ---------------LOG END----------------
> >>
> >> -------------------------------------------------------
> >> Program:     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
> >> -------------------------------------------------------
> >> uliano at nero:~/Desktop/S1PR1/S1PR1+ML056$
> >>
> >> Any hint on what went wrong and on what could I do to have this working?
> >>
> >> best,
> >>
> >> uliano
> >>
> >>
> >>
> >> --
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