LAMMPS is a popular molecular dynamics software that provides GPU acceleration using OpenCL: http://lammps.sandia.gov/doc/accelerate_gpu.html Right now running fails with: -------------------------------------------------------------------------- - Using acceleration for lj/cut: - with 1 proc(s) per device. - with OpenCL Parameters for: AMD Cypress -------------------------------------------------------------------------- Device 0: AMD HAWAII (DRM 2.48.0 / 4.9.5-200.fc25.x86_64, LLVM 5.0.0), 44 CUs, 16 GB, 0.93 GHZ (Mixed Precision) -------------------------------------------------------------------------- Initializing Device and compiling on process 0...Done. Initializing Device 0 on core 0...Done. Setting up Verlet run ... Unit style : lj Current step : 0 Time step : 0.0025 OpenCL error in file 'geryon/ocl_kernel.h' in line 218 : -48. -------------------------------------------------------------------------- MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode -1. NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. You may or may not see output from other processes, depending on exactly when Open MPI kills them. --------------------------------------------------------------------------
After adding native_recip() like in bug 99764: $ cd examples/accelerate $ ../../src/lmp_serial -i in.lj -suffix gpu $ cd examples/balance $ ../../src/lmp_serial -i in.balance -suffix gpu OpenCL kernel compiles fine and both examples run.
native_recip was added to libclc in r313107
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