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[Preview] Add QMC_GPU=no/NVIDIA/AMD/INTEL #3930

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[Preview] Add QMC_GPU=no/NVIDIA/AMD/INTEL #3930

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eaf2ec1
Add QMC_GPU=no/CUDA/CUDA_legacy/ROCM/ROCM_legacy
ye-luo Apr 6, 2022
9b8fe26
Change QMC_GPU to no/NVIDIA/AMD/INTEL.
ye-luo Apr 6, 2022
9f312d2
Clear cached options.
ye-luo Apr 7, 2022
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67 changes: 53 additions & 14 deletions CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -47,31 +47,69 @@ endif()
#--------------------------------------------------------------------
include(CMakeDependentOption)
option(QMC_MPI "Enable/disable MPI" ON)
option(QMC_OMP "Enable/disable OpenMP" ON)
option(QMC_COMPLEX "Build for complex binary" OFF)
option(QMC_CUDA "Build with GPU support through CUDA" OFF)
option(
ENABLE_CUDA
"Build with the second generation of GPU support through CUDA (production quality for AFQMC, experimental for real space)"
OFF)

# GPU vendors to programming models
if(NOT QMC_GPU AND (ENABLE_CUDA OR ENABLE_SYCL))
message(WARNING "ENABLE_CUDA or ENABLE_SYCL is set by user, please use QMC_GPU=NVIDIA/AMD/INTEL.")
endif()

set(VALID_GPU_OPTIONS "no" "NVIDIA" "AMD" "INTEL")
set(QMC_GPU
"no"
CACHE STRING "GPU vendor")
set_property(CACHE QMC_GPU PROPERTY STRINGS ${VALID_GPU_OPTIONS})

if(NOT QMC_GPU IN_LIST VALID_GPU_OPTIONS)
message(FATAL_ERROR "Invalid -DQMC_GPU=${QMC_GPU}, value must be one of ${VALID_GPU_OPTIONS}")
elseif(NOT QMC_GPU STREQUAL "no")
message(STATUS "GPU acceleration option QMC_GPU=${QMC_GPU}")
if(QMC_GPU STREQUAL "NVIDIA")
set(ENABLE_CUDA ON)
set(QMC_CUDA2HIP OFF)
set(ENABLE_SYCL OFF)
elseif(QMC_GPU STREQUAL "AMD")
set(ENABLE_CUDA ON)
set(QMC_CUDA2HIP ON)
set(ENABLE_SYCL OFF)
elseif(QMC_GPU STREQUAL "INTEL")
set(ENABLE_CUDA OFF)
set(QMC_CUDA2HIP OFF)
set(ENABLE_SYCL ON)
endif()
unset(ENABLE_CUDA CACHE)
unset(QMC_CUDA2HIP CACHE)
unset(ENABLE_SYCL CACHE)
message(" Forcing vendor native pragmming model options"
" ENABLE_CUDA=${ENABLE_CUDA}, QMC_CUDA2HIP=${QMC_CUDA2HIP}, ENABLE_SYLC=${ENABLE_SYCL}")
endif()

option(QMC_CUDA "Build legacy GPU support through CUDA" OFF)
option(ENABLE_CUDA "Build with the second generation of GPU support through CUDA" OFF)
if(ENABLE_CUDA AND QMC_CUDA)
message(FATAL_ERROR "ENABLE_CUDA=ON and QMC_CUDA=ON can not be set together!")
endif(ENABLE_CUDA AND QMC_CUDA)

option(QMC_CUDA2HIP "Map all CUDA kernels and library calls to HIP" OFF)
if(QMC_CUDA2HIP OR ENABLE_HIP)
set(ENABLE_ROCM ON) # option(ENABLE_ROCM) will be no-op
if(QMC_CUDA2HIP AND NOT (QMC_CUDA OR ENABLE_CUDA))
message(FATAL_ERROR "QMC_CUDA2HIP requires either QMC_CUDA or ENABLE_CUDA being turned on.")
endif()

# explicit HIP source codes only exist in AFQMC.
option(ENABLE_HIP "Build with with GPU support through explicit HIP source code" OFF)

if(QMC_CUDA2HIP OR ENABLE_HIP)
set(ENABLE_ROCM ON) # option(ENABLE_ROCM) will be no-op
endif()
option(ENABLE_ROCM "Build with with GPU support through ROCM libraries" OFF)
option(ENABLE_OFFLOAD "Enable OpenMP offload" OFF)

option(QMC_OMP "Enable/disable OpenMP" ON)
cmake_dependent_option(ENABLE_OFFLOAD "Enable OpenMP offload" OFF "ENABLE_OFFLOAD" OFF)
# Use CMake object library targets to workaround clang linker not being able to handle fat
# binary archives which contain both host and device codes, for example OpenMP offload regions.
# CMake does not propagate indirect object files by design.
# So the dependency must be explicitly specified with USE_OBJECT_TARGET.
cmake_dependent_option(USE_OBJECT_TARGET "Use CMake object library target" OFF "ENABLE_OFFLOAD" OFF)

if(ENABLE_CUDA AND QMC_CUDA)
message(FATAL_ERROR "ENABLE_CUDA=ON and QMC_CUDA=ON can not be set together!")
endif(ENABLE_CUDA AND QMC_CUDA)

if(ENABLE_OFFLOAD AND QMC_CUDA)
message(FATAL_ERROR "ENABLE_OFFLOAD=ON doesn't work together with QMC_CUDA=ON! Did you mean ENABLE_CUDA=ON?")
endif()
Expand Down Expand Up @@ -181,6 +219,7 @@ option(BUILD_AFQMC_WITH_NCCL "Build AFQMC with NCCL library." OFF)
if(BUILD_AFQMC AND NOT QMC_MPI)
message(FATAL_ERROR "AFQMC requires building with MPI (QMC_MPI=1). Set BUILD_AFQMC=0 or configure MPI.")
endif()
option(QMC_COMPLEX "Build for complex binary" OFF)
option(BUILD_FCIQMC "Build with FCIQMC" OFF)
option(QMC_BUILD_STATIC "Link to static libraries" OFF)
option(ENABLE_TIMERS "Enable internal timers" ON)
Expand Down
10 changes: 7 additions & 3 deletions src/qmcpack.settings
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Original file line number Diff line number Diff line change
Expand Up @@ -5,14 +5,15 @@ QMCPACK_VERSION = @qmcpack_VERSION@

QMC_MPI = @QMC_MPI@
QMC_OMP = @QMC_OMP@
QMC_CUDA = @QMC_CUDA@
QMC_COMPLEX = @QMC_COMPLEX@
QMC_MIXED_PRECISION = @QMC_MIXED_PRECISION@
QMC_SIMD_ALIGNMENT = @QMC_SIMD_ALIGNMENT@
BUILD_AFQMC = @BUILD_AFQMC@
BUILD_FCIQMC = @BUILD_FCIQMC@
ENABLE_OFFLOAD = @ENABLE_OFFLOAD@
QMC_CUDA = @QMC_CUDA@
ENABLE_CUDA = @ENABLE_CUDA@
QMC_CUDA2HIP = @QMC_CUDA2HIP@
ENABLE_PHDF5 = @ENABLE_PHDF5@
ENABLE_MASS = @ENABLE_MASS@
ENABLE_STACKTRACE = @ENABLE_STACKTRACE@
Expand All @@ -36,8 +37,11 @@ C_COMPILER_ID = @CMAKE_C_COMPILER_ID@
C_COMPILER_VERSION = @CMAKE_C_COMPILER_VERSION@
C_FLAGS = @CMAKE_C_FLAGS@

CUDA_VERSION = @CUDA_VERSION_STRING@
CUDA_FLAGS = @CUDA_NVCC_FLAGS@
CUDA_COMPILER = @CMAKE_CUDA_COMPILER@
CUDA_COMPILER_ID = @CMAKE_CUDA_COMPILER_ID@
CUDA_COMPILER_VERSION = @CMAKE_CUDA_COMPILER_VERSION@
CUDA_FLAGS = @CMAKE_CUDA_FLAGS@
CUDAToolkit_VERSION = @CUDAToolkit_VERSION@

LAPACK_LIBRARIES = @LAPACK_LIBRARIES@
HDF5_INCLUDE_DIR = @HDF5_INCLUDE_DIR@
Expand Down