From 4ed516d0c374e174312ab63302042ecf3d00dfc2 Mon Sep 17 00:00:00 2001 From: "Daniel R. Roe" Date: Tue, 3 Mar 2026 10:29:46 -0500 Subject: [PATCH 1/2] Add missing support for SM 8.9 --- cmake-cpptraj/CudaConfig.cmake | 10 ++++++---- 1 file changed, 6 insertions(+), 4 deletions(-) diff --git a/cmake-cpptraj/CudaConfig.cmake b/cmake-cpptraj/CudaConfig.cmake index 4ed5410d85..c0828c57c6 100644 --- a/cmake-cpptraj/CudaConfig.cmake +++ b/cmake-cpptraj/CudaConfig.cmake @@ -19,6 +19,8 @@ else() set(SM100FLAGS -gencode arch=compute_100,code=sm_100) #SM9.0 = H200 set(SM90FLAGS -gencode arch=compute_90,code=sm_90) + #SM8.9 = RTX4090 ++ set(SM89FLAGS -gencode arch=compute_89,code=sm_89) #SM8.6 -- not currently used, but should be tested on Cuda 11.1 set(SM86FLAGS -gencode arch=compute_86,code=sm_86) #SM8.0 = A100 @@ -72,12 +74,12 @@ else() list(APPEND CUDA_NVCC_FLAGS ${SM35FLAGS} ${SM50FLAGS} ${SM52FLAGS} ${SM53FLAGS} ${SM60FLAGS} ${SM61FLAGS} ${SM70FLAGS} ${SM75FLAGS} ${SM80FLAGS} -Wno-deprecated-gpu-targets -Wno-deprecated-declarations) elseif((${CUDA_VERSION} VERSION_GREATER_EQUAL 11.8) AND (${CUDA_VERSION} VERSION_LESS 12.7)) - message(STATUS "Configuring for SM5.0, SM5.2, SM5.3, SM6.0, SM6.1, SM7.0, SM7.5, SM8.0, SM8.6, and SM9.0") - list(APPEND CUDA_NVCC_FLAGS ${SM50FLAGS} ${SM52FLAGS} ${SM53FLAGS} ${SM60FLAGS} ${SM61FLAGS} ${SM70FLAGS} ${SM75FLAGS} ${SM80FLAGS} ${SM86FLAGS} ${SM90FLAGS} -Wno-deprecated-gpu-targets -Wno-deprecated-declarations) + message(STATUS "Configuring for SM5.0, SM5.2, SM5.3, SM6.0, SM6.1, SM7.0, SM7.5, SM8.0, SM8.6, SM8.9, and SM9.0") + list(APPEND CUDA_NVCC_FLAGS ${SM50FLAGS} ${SM52FLAGS} ${SM53FLAGS} ${SM60FLAGS} ${SM61FLAGS} ${SM70FLAGS} ${SM75FLAGS} ${SM80FLAGS} ${SM86FLAGS} ${SM89FLAGS} ${SM90FLAGS} -Wno-deprecated-gpu-targets -Wno-deprecated-declarations) elseif((${CUDA_VERSION} VERSION_GREATER_EQUAL 12.7) AND (${CUDA_VERSION} VERSION_LESS 12.9)) - message(STATUS "Configuring for SM7.0, SM7.5, SM8.0, SM8.6, SM9.0, SM10.0 and SM12.0") - list(APPEND CUDA_NVCC_FLAGS ${SM70FLAGS} ${SM75FLAGS} ${SM80FLAGS} ${SM86FLAGS} ${SM90FLAGS} ${SM100FLAGS} ${SM120FLAGS} -Wno-deprecated-gpu-targets -Wno-deprecated-declarations) + message(STATUS "Configuring for SM7.0, SM7.5, SM8.0, SM8.6, SM8.9, SM9.0, SM10.0 and SM12.0") + list(APPEND CUDA_NVCC_FLAGS ${SM70FLAGS} ${SM75FLAGS} ${SM80FLAGS} ${SM86FLAGS} ${SM89FLAGS} ${SM90FLAGS} ${SM100FLAGS} ${SM120FLAGS} -Wno-deprecated-gpu-targets -Wno-deprecated-declarations) else() message(FATAL_ERROR "Error: Untested CUDA version. AMBER currently requires CUDA version >= 7.5 and < 12.9.") From ffc6a47c0f111de1ae062e98b7cd26751bf51dae Mon Sep 17 00:00:00 2001 From: "Daniel R. Roe" Date: Tue, 3 Mar 2026 11:22:28 -0500 Subject: [PATCH 2/2] Remove typo --- cmake-cpptraj/CudaConfig.cmake | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/cmake-cpptraj/CudaConfig.cmake b/cmake-cpptraj/CudaConfig.cmake index c0828c57c6..dcf78f0f7a 100644 --- a/cmake-cpptraj/CudaConfig.cmake +++ b/cmake-cpptraj/CudaConfig.cmake @@ -20,7 +20,7 @@ else() #SM9.0 = H200 set(SM90FLAGS -gencode arch=compute_90,code=sm_90) #SM8.9 = RTX4090 -+ set(SM89FLAGS -gencode arch=compute_89,code=sm_89) + set(SM89FLAGS -gencode arch=compute_89,code=sm_89) #SM8.6 -- not currently used, but should be tested on Cuda 11.1 set(SM86FLAGS -gencode arch=compute_86,code=sm_86) #SM8.0 = A100