Merge pull request #2002 from glotzerlab/rocm6

Support rocm6.

Author: joaander

CHANGELOG.rst

@@ -13,12 +13,18 @@ Change Log
   (`#1970 <https://github.com/glotzerlab/hoomd-blue/pull/1970>`__).
 * ``mpcd.update.ReverseNonequilibriumShearFlow``
   (`#1983 <https://github.com/glotzerlab/hoomd-blue/pull/1983>`__).
+* Support rocm 6
+  (`#2002 <https://github.com/glotzerlab/hoomd-blue/pull/2002>`__).
 
 *Fixed*
 
 * Correctly reference ``TriggeredOperation`` in inherited documentation
   (`#1990 <https://github.com/glotzerlab/hoomd-blue/pull/1990>`__).
 
+*Removed*
+
+* Support for rocm5
+  (`#2002 <https://github.com/glotzerlab/hoomd-blue/pull/2002>`__).
 
 5.0.1 (2025-01-20)
 ^^^^^^^^^^^^^^^^^^

CMake/hoomd/FindCUDALibs.cmake

@@ -105,8 +105,11 @@ else()
     add_library(CUDA::cusparse UNKNOWN IMPORTED)
 endif()
 
-if (HIP_PLATFORM STREQUAL "hip-clang")
-    find_package(hipfft)
+if (HIP_PLATFORM STREQUAL "amd")
+    find_package(hipfft REQUIRED)
+    include_directories("${hipfft_INCLUDE_DIR}")
+    include_directories("${hipfft_INCLUDE_DIR}/hipfft")
+    message("Found hipfft includes: ${hipfft_INCLUDE_DIR}")
 endif()
 
 if (HIP_PLATFORM STREQUAL "nvcc")

CMake/hoomd/HOOMDCUDASetup.cmake

@@ -51,11 +51,13 @@ if (ENABLE_HIP)
             set(CMAKE_CUDA_FLAGS "${CMAKE_CUDA_FLAGS} -gencode=arch=compute_${_cuda_max_arch},code=compute_${_cuda_max_arch}")
         endif()
 
-    elseif(HIP_PLATFORM STREQUAL "hip-clang")
+    elseif(HIP_PLATFORM STREQUAL "amd")
         set(_cuda_min_arch 35)
 
-        # ignore warnings about unused results
-        set(CMAKE_HIP_FLAGS "${CMAKE_CUDA_FLAGS} -Wno-unused-result")
+        # ignore warnings about unused results and set HIP_PLATFORM_HCC (which was previously
+        # set by rocm < 6.0.0)
+        set(CMAKE_HIP_FLAGS "${CMAKE_CUDA_FLAGS} -Wno-unused-result -D__HIP_PLATFORM_HCC__")
+        set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -D__HIP_PLATFORM_HCC__")
     endif()
 endif (ENABLE_HIP)
 

CMake/hoomd/HOOMDHIPSetup.cmake

@@ -7,8 +7,8 @@ if(ENABLE_HIP)
         SET(HOOMD_DEVICE_LANGUAGE HIP)
 
         # setup nvcc to build for all CUDA architectures. Allow user to modify the list if desired
-        set(CMAKE_HIP_ARCHITECTURES gfx900 gfx906 gfx908 gfx90a CACHE STRING "List of AMD GPU to compile HIP code for. Separate with semicolons.")
-        set(HIP_PLATFORM hip-clang)
+        set(CMAKE_HIP_ARCHITECTURES gfx900 gfx906 gfx908 gfx90a gfx940 gfx941 gfx942 CACHE STRING "List of AMD GPU to compile HIP code for. Separate with semicolons.")
+        set(HIP_PLATFORM amd)
     elseif (HOOMD_GPU_PLATFORM STREQUAL "CUDA")
         # here we go if hipcc is not available, fall back on internal HIP->CUDA headers
         ENABLE_LANGUAGE(CUDA)
@@ -48,8 +48,8 @@ if(ENABLE_HIP)
     # branch upon HCC or NVCC target
     if(${HIP_PLATFORM} STREQUAL "nvcc")
         set_property(TARGET hip::host APPEND PROPERTY INTERFACE_COMPILE_DEFINITIONS __HIP_PLATFORM_NVCC__)
-    elseif(${HIP_PLATFORM} STREQUAL "hip-clang")
-        set_property(TARGET hip::host APPEND PROPERTY INTERFACE_COMPILE_DEFINITIONS __HIP_PLATFORM_AMD__)
+    elseif(${HIP_PLATFORM} STREQUAL "amd")
+        set_property(TARGET hip::host APPEND PROPERTY INTERFACE_COMPILE_DEFINITIONS __HIP_PLATFORM_AMD__ __HIP_PLATFORM_HCC__)
     endif()
 
     find_package(CUDALibs REQUIRED)

hoomd/CMakeLists.txt

@@ -265,7 +265,7 @@ target_compile_definitions(_hoomd PUBLIC HOOMD_LONGREAL_SIZE=${HOOMD_LONGREAL_SI
 
 # Libraries and compile definitions for CUDA enabled builds
 if (ENABLE_HIP)
-    if (HIP_PLATFORM STREQUAL "hip-clang")
+    if (HIP_PLATFORM STREQUAL "amd")
         target_link_libraries(_hoomd PUBLIC hip::hipfft)
     elseif(HIP_PLATFORM STREQUAL "nvcc")
         target_link_libraries(_hoomd PUBLIC CUDA::cudart CUDA::cufft)

hoomd/HOOMDMath.h

@@ -237,6 +237,8 @@ inline HOSTDEVICE float rsqrt(float x)
     return ::rsqrtf(x);
 #elif defined(__HIP_PLATFORM_HCC__)
     return ::__frsqrt_rn(x);
+#elif defined(__HIP_PLATFORM_AMD__)
+    return ::__frsqrt_rn(x);
 #endif
 #else
     return 1.0f / ::sqrtf(x);
@@ -727,6 +729,19 @@ HOSTDEVICE inline hoomd::Scalar3& operator+=(hoomd::Scalar3& a, const hoomd::Sca
     a.z += b.z;
     return a;
     }
+
+//! Vector multiplication (component-wise)
+HOSTDEVICE inline hoomd::Scalar3 operator*(const hoomd::Scalar3& a, const hoomd::Scalar3& b)
+    {
+    return hoomd::make_scalar3(a.x * b.x, a.y * b.y, a.z * b.z);
+    }
+
+//! Vector division (component-wise)
+HOSTDEVICE inline hoomd::Scalar3 operator/(const hoomd::Scalar3& a, const hoomd::Scalar3& b)
+    {
+    return hoomd::make_scalar3(a.x / b.x, a.y / b.y, a.z / b.z);
+    }
+
 #endif
 
 //! Vector subtraction
@@ -743,12 +758,6 @@ HOSTDEVICE inline hoomd::Scalar3& operator-=(hoomd::Scalar3& a, const hoomd::Sca
     return a;
     }
 
-//! Vector multiplication (component-wise)
-HOSTDEVICE inline hoomd::Scalar3 operator*(const hoomd::Scalar3& a, const hoomd::Scalar3& b)
-    {
-    return hoomd::make_scalar3(a.x * b.x, a.y * b.y, a.z * b.z);
-    }
-
 //! Vector multiplication
 HOSTDEVICE inline hoomd::Scalar3& operator*=(hoomd::Scalar3& a, const hoomd::Scalar3& b)
     {
@@ -758,11 +767,6 @@ HOSTDEVICE inline hoomd::Scalar3& operator*=(hoomd::Scalar3& a, const hoomd::Sca
     return a;
     }
 
-//! Vector division (component-wise)
-HOSTDEVICE inline hoomd::Scalar3 operator/(const hoomd::Scalar3& a, const hoomd::Scalar3& b)
-    {
-    return hoomd::make_scalar3(a.x / b.x, a.y / b.y, a.z / b.z);
-    }
 //! Scalar - vector multiplication
 HOSTDEVICE inline hoomd::Scalar3 operator*(const hoomd::Scalar& a, const hoomd::Scalar3& b)
     {

hoomd/extern/CMakeLists.txt

@@ -13,7 +13,7 @@ add_library(hipper INTERFACE)
 add_library(HOOMD::hipper ALIAS hipper)
 target_include_directories(hipper INTERFACE $<BUILD_INTERFACE:${CMAKE_CURRENT_LIST_DIR}/hipper/include>
                                             $<INSTALL_INTERFACE:${PYTHON_SITE_INSTALL_DIR}/include/hoomd/extern/hipper/include>)
-if (HIP_PLATFORM STREQUAL "hcc" OR HIP_PLATFORM STREQUAL "hip-clang")
+if (HIP_PLATFORM STREQUAL "hcc" OR HIP_PLATFORM STREQUAL "amd")
     target_compile_definitions(hipper INTERFACE HIPPER_HIP)
 elseif(HIP_PLATFORM STREQUAL "nvcc")
     target_compile_definitions(hipper INTERFACE HIPPER_CUDA)