1. 05 Sep, 2024 2 commits
    • Anton Gorenko's avatar
      Use VkFFT in HipFFT3D, remove hipFFT and the builtin FFT · f717ed89
      Anton Gorenko authored
      * VkFFT-based 3D FFT;
      * Caching of compiled VkFFT kernels;
      * Extend FFT tests with more sizes.
      f717ed89
    • Anton Gorenko's avatar
      Optimize PME kernels · a0acfbc9
      Anton Gorenko authored
      * Compile with -munsafe-fp-atomics to enable fast hardware f32 atomic
        add on global memory on pre-MI100 GPUs;
      * Use fixed point charge spreading on other GPUs, otherwise float atomic
        add will be compiled as a slow CAS loop;
      * Tune block sizes, use executeKernelFlat;
      * Tune launch bounds of PME grid-related kernels: force the compiler to
        use all registers by limiting max waves per EU to 1.
      a0acfbc9
  2. 01 Sep, 2024 2 commits
    • Anton Gorenko's avatar
      Cleanup Cmake scripts for HIP platform · aca24d5f
      Anton Gorenko authored
      * Remove setting of link libraries, include and link dirs and compile
        flags for each target, instead let Cmake deal with them by linking the
        main library to hip::host hiprtc::hiprtc hip::hipfft;
      * Fix: custom command without ADD_CUSTOM_TARGET and ADD_DEPENDENCIES is
        executed for both static and shared targets;
      * Remove IF(APPLE) parts.
      aca24d5f
    • Anton Gorenko's avatar
      Add hipification of Amoeba, Drude, RPMD plugins · 6c0f3fbd
      Anton Gorenko authored
      Fix SegFault in HipCalcHippoNonbondedForceKernel
      
          HipSort was created using a temporary ref. Adding `HipContext& cu`
          field to HipCalcHippoNonbondedForceKernel fixes the issue;
      6c0f3fbd