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

[Uliano Guerrini]

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
>> 
>> 
>> 
>> --
>> 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-request at 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-request at gromacs.org.