segfault in opencl build
Affected version - extra info:
On an agent config
gcc-8 openmp simd=avx2_256 gpuhw=amd opencl-1.2 clFFT-2.14 buildfftw host=bs_gpu01,bs_gpu01, an unrelated change produced
GROMACS: gmx mdrun, version 2020-dev-20190617-632bc08-local Executable: /home/jenkins/workspace/Matrix_PreSubmit_master/756cb28b/gromacs/bin/gmx Data prefix: /home/jenkins/workspace/Matrix_PreSubmit_master/756cb28b/gromacs (source tree) Working dir: /mnt/workspace/Matrix_PreSubmit_master/756cb28b/regressiontests/complex/nbnxn_pme_order5 Command line: gmx mdrun -ntmpi 2 -ntomp 2 -notunepme Reading file topol.tpr, VERSION 2020-dev-20190617-632bc08-local (single precision) Changing nstlist from 10 to 100, rlist from 0.9 to 0.999 Using 2 MPI threads Using 2 OpenMP threads per tMPI thread On host bs-gpu01 2 GPUs selected for this run. Mapping of GPU IDs to the 2 GPU tasks in the 2 ranks on this node: PP:0,PP:1 PP tasks will do (non-perturbed) short-ranged interactions on the GPU NOTE: The number of threads is not equal to the number of (logical) cores and the -pin option is set to auto: will not pin threads to cores. This can lead to significant performance degradation. Consider using -pin on (and -pinoffset in case you run multiple jobs). Segmentation fault (core dumped)
Note that only PME order 4 is supported on GPUs, so this issue is not in the PME-on-GPU code.