v3.6.0

.github/workflows/coverage.yml

@@ -33,7 +33,7 @@ jobs:
         working-directory: build_dir
 
       - name: cmake test
-        run: ctest -j2 --output-on-failure --timeout 5000 -E mixMultiQubitKrausMap
+        run: ctest -j2 --output-on-failure --timeout 5000
         working-directory: build_dir
 
       - name: upload coverage results

.github/workflows/doc.yml

@@ -0,0 +1,39 @@
+name: doc
+
+permissions:
+  contents: write
+
+on:
+  # regenerate when master branch is updated
+  push:
+    branches:
+      - master
+
+  # or when manually triggered from the Actions tab
+  workflow_dispatch:
+
+jobs:
+
+  build-doc:
+    name: Generation of documentation
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: obtain copy of repository
+        uses: actions/checkout@v1
+
+      - name: make a directory for the generated doc
+        run: mkdir docgen_dir
+
+      - name: run doxygen to generate doc, outputting to docgen_dir
+        uses: mattnotmitt/[email protected]
+        with:
+          working-directory: docgen_dir
+          doxyfile-path: doxyconfig/config
+          enable-latex: true
+
+      - name: deploy new doc to github pages
+        uses: peaceiris/actions-gh-pages@v3
+        with:
+          github_token: ${{ secrets.GITHUB_TOKEN }}
+          publish_dir: docgen_dir/html

.github/workflows/llvm-asan.yml

@@ -33,5 +33,5 @@ jobs:
         working-directory: build_dir
 
       - name: cmake test
-        run: ctest -j2 --output-on-failure --timeout 5000 -E mixMultiQubitKrausMap
+        run: ctest -j2 --output-on-failure --timeout 5000
         working-directory: build_dir

.github/workflows/macos-unit.yml

@@ -33,5 +33,5 @@ jobs:
         working-directory: build_dir
 
       - name: cmake test
-        run: ctest -j2 --output-on-failure -E mixMultiQubitKrausMap
+        run: ctest -j2 --output-on-failure
         working-directory: build_dir

.github/workflows/ubuntu-unit.yml

@@ -33,5 +33,5 @@ jobs:
         working-directory: build_dir
 
       - name: cmake test
-        run: ctest -j2 --output-on-failure -E mixMultiQubitKrausMap
+        run: ctest -j2 --output-on-failure
         working-directory: build_dir

.github/workflows/windows-unit.yml

@@ -0,0 +1,40 @@
+name: Windows unit
+
+on:
+  push:
+    branches:
+      - master
+      - develop
+  pull_request:
+    branches:
+      - '**'
+
+jobs:
+
+  build-and-test:
+    name: Unit tests on Windows MSVC
+    runs-on: windows-latest
+    strategy:
+      matrix:
+        float-precision: [2]
+
+    steps:
+      - uses: actions/checkout@v2
+      - uses: ilammy/msvc-dev-cmd@v1
+
+      - name: make build directory
+        shell: cmd
+        run: mkdir build_dir
+
+      - name: cmake configure
+        shell: cmd
+        run: cmake .. -DTESTING=ON -DPRECISION:STRING=${{matrix.float-precision}}
+        working-directory: build_dir
+
+      - name: cmake build
+        run: cmake --build . --target tests
+        working-directory: build_dir
+
+      - name: cmake test
+        run: ctest -j2 --output-on-failure
+        working-directory: build_dir

AUTHORS.txt

@@ -33,6 +33,8 @@ Dr Mihai Duta [developer]
     original prototyping
 
 External contributors:
+Bruno Villasenor Alvarez on behalf of AMD
+    ported the GPU backend to HIP, for AMD GPU compatibility
 Dr Nicolas Vogt on behalf of HQS Quantum Simulations
     implemented mixDamping (CPU)
 Kshitij Chhabra

QuEST/CMakeLists.txt

@@ -33,6 +33,9 @@ option(GPUACCELERATED "Whether to program will run on GPU. Set to 1 to enable" 0
 
 set(GPU_COMPUTE_CAPABILITY 30 CACHE STRING "GPU hardware dependent, lookup at https://developer.nvidia.com/cuda-gpus. Write without fullstop")
 
+option(USE_HIP "Whether to use HIP for GPU code compilation for AMD GPUs. Set to 1 to enable" 0)
+
+set(GPU_ARCH gfx90 CACHE STRING "GPU hardware dependent, used for AMD GPUs when USE_HIP=1. Lookup at https://llvm.org/docs/AMDGPUUsage.html#amdgpu-processor-table. Write without fullstop")
 
 
 # *****************************************************************************
@@ -44,6 +47,9 @@ message(STATUS "Precision is ${PRECISION}")
 message(STATUS "GPU acceleration is ${GPUACCELERATED}")
 message(STATUS "OMP acceleration is ${MULTITHREADED}")
 message(STATUS "MPI distribution is ${DISTRIBUTED}")
+if (${GPUACCELERATED})
+  message(STATUS "HIP compilation is ${USE_HIP}")
+endif()
 
 
 # -----------------------------------------------------------------------------
@@ -111,7 +117,30 @@ if (DISTRIBUTED)
 endif()
 
 if (GPUACCELERATED)
+  if (USE_HIP)
+
+  if(NOT DEFINED HIP_PATH)
+    if(NOT DEFINED ENV{HIP_PATH})
+      message(WARNING "WARNING: HIP_PATH is not defiend. Using default HIP_PATH=/opt/rocm/hip    " ${HIP_VERSION})
+      set(HIP_PATH "/opt/rocm/hip" CACHE PATH "Path to which HIP has been installed")
+    else()
+      set(HIP_PATH $ENV{HIP_PATH}	CACHE PATH "Path to which HIP has been installed")
+    endif()
+  endif()
+
+  if(EXISTS "${HIP_PATH}")
+    set(CMAKE_MODULE_PATH "${HIP_PATH}/cmake" ${CMAKE_MODULE_PATH})
+    find_package(HIP REQUIRED)
+    message(STATUS "Found HIP: " ${HIP_VERSION})
+    message(STATUS "HIP PATH: " ${HIP_PATH})
+  endif()
+
+  ADD_DEFINITIONS( -DUSE_HIP )
+  ADD_DEFINITIONS( -D__HIP_PLATFORM_AMD__ )
+
+  else()
     find_package(CUDA REQUIRED)
+  endif()  
 endif()
 
 
@@ -147,6 +176,26 @@ endif ()
 # ----- CUDA FLAGS ------------------------------------------------------------
 
 if (GPUACCELERATED)
+  if (USE_HIP)
+    if( NOT DEFINED GPU_ARCH AND DEFINED GPU_COMPUTE_CAPABILITY )
+      set ( GPU_ARCH ${GPU_COMPUTE_CAPABILITY})
+    endif()
+
+    set(HIP_HIPCC_FLAGS "${HIP_HIPCC_FLAGS} -fPIC  --offload-arch=${GPU_ARCH}" )
+    if ("${CMAKE_BUILD_TYPE}" STREQUAL "Release")
+      set (HIP_HIPCC_FLAGS "${HIP_HIPCC_FLAGS} \
+          -O2"
+      )
+    elseif ("${CMAKE_BUILD_TYPE}" STREQUAL "Debug")
+      set (HIP_HIPCC_FLAGS "${HIP_HIPCC_FLAGS} \
+          -G -g -lineinfo"
+      )
+    else()
+      set (HIP_HIPCC_FLAGS "${HIP_HIPCC_FLAGS} \
+          -O2"
+      )
+    endif()
+  else()
     set (CUDA_NVCC_FLAGS "${CUDA_NVCC_FLAGS} \
         -arch=compute_${GPU_COMPUTE_CAPABILITY} -code=sm_${GPU_COMPUTE_CAPABILITY}"
     )
@@ -155,14 +204,21 @@ if (GPUACCELERATED)
             -O2"
         )
     elseif ("${CMAKE_BUILD_TYPE}" STREQUAL "Debug")
-        set (CUDA_NVCC_FLAGS "${CUDA_NVCC_FLAGS} \
-            -G -g -lineinfo"
-        )
+        if ("${CMAKE_C_COMPILER_ID}" STREQUAL "MSVC")
+            set (CUDA_NVCC_FLAGS "${CUDA_NVCC_FLAGS} \
+                -G"
+            )
+        else()
+            set (CUDA_NVCC_FLAGS "${CUDA_NVCC_FLAGS} \
+                -G -g -lineinfo"
+            )
+        endif()
     else()
         set (CUDA_NVCC_FLAGS "${CUDA_NVCC_FLAGS} \
             -O2"
         )
     endif()
+  endif()  
 endif()
 
 
@@ -184,6 +240,10 @@ if (NOT("${CMAKE_CXX_COMPILER_ID}" STREQUAL "MSVC"))
   set(CMAKE_C_FLAGS_DEBUG 
       "-g"
   )
+else()
+  set(CMAKE_C_FLAGS_DEBUG 
+      "-Zi"
+  )
 endif()
 
 # Set c flags for release
@@ -235,9 +295,15 @@ set(CMAKE_CXX_FLAGS_RELEASE
 )
 
 # Set c++ flags to use in debug mode
-set(CMAKE_CXX_FLAGS_DEBUG 
+if ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "MSVC")
+  set(CMAKE_CXX_FLAGS_DEBUG 
+    "-Zi -MDd"
+  )
+else()
+  set(CMAKE_CXX_FLAGS_DEBUG 
     "-g"
-)
+  )
+endif()
 
 # set C++ compiler flags based on compiler type
 if ("${CMAKE_CXX_COMPILER_ID}" STREQUAL "Clang")
@@ -270,6 +336,7 @@ if (VERBOSE_CMAKE)
     message("   C++ Compiler ID: ${CMAKE_CXX_COMPILER_ID}")
     message("   C compilation flags: ${CMAKE_C_FLAGS}")
     message("   CUDA compilation flags: ${CUDA_NVCC_FLAGS}")
+    message("   HIP compilation flags: ${HIP_HIPCC_FLAGS}")
     message("   C++ compilation flags: ${CMAKE_CXX_FLAGS}")
 
     message("-- Build type: ${CMAKE_BUILD_TYPE}")
@@ -298,9 +365,15 @@ endif ()
 
 
 if (GPUACCELERATED)
+  if (USE_HIP)
+    hip_add_library(QuEST
+        ${QuEST_SRC} 
+    )
+  else()
     cuda_add_library(QuEST
         ${QuEST_SRC}
     )
+  endif()  
 else ()
     add_library(QuEST
         ${QuEST_SRC}
@@ -337,9 +410,11 @@ endif ()
 target_link_libraries(QuEST PUBLIC ${MPI_C_LIBRARIES})
 
 # ----- GPU -------------------------------------------------------------------
-
-target_link_libraries(QuEST ${CUDA_LIBRARIES})
-
+if (USE_HIP)
+  target_link_libraries(QuEST PUBLIC  ${HIP_PATH}/lib/libamdhip64.so )
+else()
+  target_link_libraries(QuEST ${CUDA_LIBRARIES})
+endif()
 
 # ----- Coverage testing with GCC or Clang ------------------------------------
 option(QUEST_ENABLE_COVERAGE "Enable coverage reporting for GCC or Clang" FALSE)