Unverified Commit a082895b authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

update CMake script for GPU package to include handling of Arch 8.0 and CUDA 11

parent 2580ca78

cmake/Modules/Packages/GPU.cmake

+44 −28
Original line number Diff line number Diff line
@@ -66,29 +66,37 @@ if(GPU_API STREQUAL "CUDA") 
  # --arch translates directly instead of JIT, so this should be for the preferred or most common architecture

  set(GPU_CUDA_GENCODE "-arch=${GPU_ARCH}")

  # Fermi (GPU Arch 2.x) is supported by CUDA 3.2 to CUDA 8.0

  if((CUDA_VERSION VERSION_GREATER "3.1") AND (CUDA_VERSION VERSION_LESS "9.0"))

  if((CUDA_VERSION VERSION_GREATER_EQUAL "3.2") AND (CUDA_VERSION VERSION_LESS "9.0"))

    string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_20,code=[sm_20,compute_20] ")

  endif()

  # Kepler (GPU Arch 3.x) is supported by CUDA 5 and later

  if(CUDA_VERSION VERSION_GREATER "4.9")

  # Kepler (GPU Arch 3.0) is supported by CUDA 5 to CUDA 10.2

  if((CUDA_VERSION VERSION_GREATER_EQUAL "5.0") AND (CUDA_VERSION VERSION_LESS "11.0"))

    string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_30,code=[sm_30,compute_30] ")

  endif()

  # Kepler (GPU Arch 3.5) is supported by CUDA 5 to CUDA 11

  if((CUDA_VERSION VERSION_GREATER_EQUAL "5.0") AND (CUDA_VERSION VERSION_LESS "12.0"))

    string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_30,code=[sm_30,compute_30] -gencode arch=compute_35,code=[sm_35,compute_35]")

  endif()

  # Maxwell (GPU Arch 5.x) is supported by CUDA 6 and later

  if(CUDA_VERSION VERSION_GREATER "5.9")

  if(CUDA_VERSION VERSION_GREATER_EQUAL "6.0")

    string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_50,code=[sm_50,compute_50] -gencode arch=compute_52,code=[sm_52,compute_52]")

  endif()

  # Pascal (GPU Arch 6.x) is supported by CUDA 8 and later

  if(CUDA_VERSION VERSION_GREATER "7.9")

  if(CUDA_VERSION VERSION_GREATER_EQUAL "8.0")

    string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_60,code=[sm_60,compute_60] -gencode arch=compute_61,code=[sm_61,compute_61]")

  endif()

  # Volta (GPU Arch 7.0) is supported by CUDA 9 and later

  if(CUDA_VERSION VERSION_GREATER "8.9")

  if(CUDA_VERSION VERSION_GREATER_EQUAL "9.0")

    string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_70,code=[sm_70,compute_70]")

  endif()

  # Turing (GPU Arch 7.5) is supported by CUDA 10 and later

  if(CUDA_VERSION VERSION_GREATER "9.9")

  if(CUDA_VERSION VERSION_GREATER_EQUAL "10.0")

    string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_75,code=[sm_75,compute_75]")

  endif()

  # Ampere (GPU Arch 8.0) is supported by CUDA 11 and later

  if(CUDA_VERSION VERSION_GREATER_EQUAL "11.0")

    string(APPEND GPU_CUDA_GENCODE " -gencode arch=compute_80,code=[sm_80,compute_80]")

  endif()



  cuda_compile_fatbin(GPU_GEN_OBJS ${GPU_LIB_CU} OPTIONS ${CUDA_REQUEST_PIC}

          -DUNIX -O3 --use_fast_math -Wno-deprecated-gpu-targets -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING})
@@ -228,29 +236,37 @@ elseif(GPU_API STREQUAL "HIP") 
    # --arch translates directly instead of JIT, so this should be for the preferred or most common architecture

    set(HIP_CUDA_GENCODE "-arch=${HIP_ARCH}")

    # Fermi (GPU Arch 2.x) is supported by CUDA 3.2 to CUDA 8.0

    if((CUDA_VERSION VERSION_GREATER "3.1") AND (CUDA_VERSION VERSION_LESS "9.0"))

    if((CUDA_VERSION VERSION_GREATER_EQUAL "3.2") AND (CUDA_VERSION VERSION_LESS "9.0"))

      string(APPEND HIP_CUDA_GENCODE " -gencode arch=compute_20,code=[sm_20,compute_20]")

    endif()

    # Kepler (GPU Arch 3.x) is supported by CUDA 5 and later

    if(CUDA_VERSION VERSION_GREATER "4.9")

      string(APPEND HIP_CUDA_GENCODE "-gencode arch=compute_30,code=[sm_30,compute_30] -gencode arch=compute_35,code=[sm_35,compute_35] ")

    # Kepler (GPU Arch 3.0) is supported by CUDA 5 to CUDA 10.2

    if((CUDA_VERSION VERSION_GREATER_EQUAL "5.0") AND (CUDA_VERSION VERSION_LESS "11.0"))

      string(APPEND HIP_CUDA_GENCODE " -gencode arch=compute_30,code=[sm_30,compute_30]")

    endif()

    # Kepler (GPU Arch 3.5) is supported by CUDA 5 to CUDA 11.0

    if((CUDA_VERSION VERSION_GREATER_EQUAL "5.0") AND (CUDA_VERSION VERSION_LESS "12.0"))

      string(APPEND HIP_CUDA_GENCODE " -gencode arch=compute_35,code=[sm_35,compute_35]")

    endif()

    # Maxwell (GPU Arch 5.x) is supported by CUDA 6 and later

    if(CUDA_VERSION VERSION_GREATER "5.9")

    if(CUDA_VERSION VERSION_GREATER_EQUAL "6.0")

      string(APPEND HIP_CUDA_GENCODE " -gencode arch=compute_50,code=[sm_50,compute_50] -gencode arch=compute_52,code=[sm_52,compute_52]")

    endif()

    # Pascal (GPU Arch 6.x) is supported by CUDA 8 and later

    if(CUDA_VERSION VERSION_GREATER "7.9")

    if(CUDA_VERSION VERSION_GREATER_EQUAL "8.0")

      string(APPEND HIP_CUDA_GENCODE " -gencode arch=compute_60,code=[sm_60,compute_60] -gencode arch=compute_61,code=[sm_61,compute_61]")

    endif()

    # Volta (GPU Arch 7.0) is supported by CUDA 9 and later

    if(CUDA_VERSION VERSION_GREATER "8.9")

    if(CUDA_VERSION VERSION_GREATER_EQUAL "9.0")

      string(APPEND HIP_CUDA_GENCODE " -gencode arch=compute_70,code=[sm_70,compute_70]")

    endif()

    # Turing (GPU Arch 7.5) is supported by CUDA 10 and later

    if(CUDA_VERSION VERSION_GREATER "9.9")

    if(CUDA_VERSION VERSION_GREATER_EQUAL "10.0")

      string(APPEND HIP_CUDA_GENCODE " -gencode arch=compute_75,code=[sm_75,compute_75]")

    endif()

    # Ampere (GPU Arch 8.0) is supported by CUDA 11 and later

    if(CUDA_VERSION VERSION_GREATER_EQUAL "11.0")

      string(APPEND HIP_CUDA_GENCODE " -gencode arch=compute_80,code=[sm_80,compute_80]")

    endif()

  endif()



  file(GLOB GPU_LIB_CU ${LAMMPS_LIB_SOURCE_DIR}/gpu/[^.]*.cu ${CMAKE_CURRENT_SOURCE_DIR}/gpu/[^.]*.cu)

doc/src/Build_extras.rst

+2 −2
Original line number Diff line number Diff line
@@ -105,10 +105,10 @@ CMake build 
                                # generic (default) or intel (Intel CPU) or fermi, kepler, cypress (NVIDIA)

   -D GPU_ARCH=value            # primary GPU hardware choice for GPU_API=cuda

                                # value = sm_XX, see below

                                # default is sm_30

                                # default is sm_50

   -D HIP_ARCH=value            # primary GPU hardware choice for GPU_API=hip

                                # value depends on selected HIP_PLATFORM

                                # default is 'gfx906' for HIP_PLATFORM=hcc and 'sm_30' for HIP_PLATFORM=nvcc

                                # default is 'gfx906' for HIP_PLATFORM=hcc and 'sm_50' for HIP_PLATFORM=nvcc

   -D HIP_USE_DEVICE_SORT=value # enables GPU sorting

                                # value = yes (default) or no

   -D CUDPP_OPT=value           # optimization setting for GPU_API=cuda

doc/src/Packages_details.rst

+2 −1
Original line number Diff line number Diff line
@@ -306,7 +306,8 @@ gpu" or "-suffix gpu" :doc:`command-line switches <Run_options>`. See 
also the :ref:`KOKKOS <PKG-KOKKOS>` package, which has GPU-enabled styles.



**Authors:** Mike Brown (Intel) while at Sandia and ORNL and Trung Nguyen

(Northwestern U) while at ORNL.

(Northwestern U) while at ORNL and later. AMD HIP support by Evgeny

Kuznetsov, Vladimir Stegailov, and Vsevolod Nikolskiy (HSE University).



**Install:**

doc/src/Speed_gpu.rst

+4 −0
Original line number Diff line number Diff line
@@ -50,6 +50,10 @@ but this can be overridden using the device option of the :doc:`package <package 
command. run lammps/lib/gpu/ocl_get_devices to get a list of available

platforms and devices with a suitable ICD available.



To compute and use this package in HIP mode, you have to have the AMD ROCm

software installed. Versions of ROCm older than 3.5 are currently deprecated

by AMD.



**Building LAMMPS with the GPU package:**



See the :ref:`Build extras <gpu>` doc page for

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