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QMCPACK · Mar 12, 2023 · 2923efb · 2923efb
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diff --git a/README.md b/README.md
@@ -164,11 +164,14 @@ make -j 8
     ENABLE_OFFLOAD        ON/OFF(default). Enable OpenMP target offload for GPU acceleration.
     ENABLE_CUDA           ON/OFF(default). Enable CUDA code path for NVIDIA GPU acceleration.
                           Production quality for AFQMC and real-space performance portable implementation.
-                          Use CMAKE_CUDA_ARCHITECTURES, default 70, to select the actual GPU architecture.
     QMC_CUDA2HIP          ON/OFF(default). Map all CUDA kernels and library calls to HIP and use ROCm libraries.
                           Set both ENABLE_CUDA and QMC_CUDA2HIP ON to target AMD GPUs.
-                          Use CMAKE_HIP_ARCHITECTURES, default gfx906, to select the actual GPU architecture.
     ENABLE_SYCL           ON/OFF(default). Enable SYCL code path. Only support Intel GPUs and OneAPI compilers.
+    QMC_GPU_ARCHS         Specify GPU architectures. For example, "gfx90a" targets AMD MI200 series GPUs.
+                          "sm_80;sm_70" creates a single executable running on both NVIDIA A100 and V100 GPUs.
+                          Mixing vendor "gfx90a;sm_70" is not supported. If not set, atempt to derive it
+                          from CMAKE_CUDA_ARCHITECTURES or CMAKE_HIP_ARCHITECTURES if available and then
+                          atempt to auto-detect existing GPUs.
 
 ```
 

diff --git a/docs/installation.rst b/docs/installation.rst
@@ -290,11 +290,14 @@ the path to the source directory.
     ENABLE_OFFLOAD        ON/OFF(default). Enable OpenMP target offload for GPU acceleration.
     ENABLE_CUDA           ON/OFF(default). Enable CUDA code path for NVIDIA GPU acceleration.
                           Production quality for AFQMC and real-space performance portable implementation.
-                          Use CMAKE_CUDA_ARCHITECTURES, default 70, to select the actual GPU architecture.
     QMC_CUDA2HIP          ON/OFF(default). Map all CUDA kernels and library calls to HIP and use ROCm libraries.
                           Set both ENABLE_CUDA and QMC_CUDA2HIP ON to target AMD GPUs.
-                          Use CMAKE_HIP_ARCHITECTURES, default gfx906, to select the actual GPU architecture.
     ENABLE_SYCL           ON/OFF(default). Enable SYCL code path. Only support Intel GPUs and OneAPI compilers.
+    QMC_GPU_ARCHS         Specify GPU architectures. For example, "gfx90a" targets AMD MI200 series GPUs.
+                          "sm_80;sm_70" creates a single executable running on both NVIDIA A100 and V100 GPUs.
+                          Mixing vendor "gfx90a;sm_70" is not supported. If not set, atempt to derive it
+                          from CMAKE_CUDA_ARCHITECTURES or CMAKE_HIP_ARCHITECTURES if available and then
+                          atempt to auto-detect existing GPUs.
 
 - General build options
 
@@ -451,13 +454,13 @@ For example, using Clang 14 on Summit.
 
   ::
   
-    -D ENABLE_OFFLOAD=ON -D ENABLE_CUDA=ON -D CMAKE_CUDA_ARCHITECTURES=70
+    -D ENABLE_OFFLOAD=ON -D ENABLE_CUDA=ON -D QMC_GPU_ARCHS=sm_80
 
 Similarly, HIP features can be enabled in conjunction with the offload code path to improve performance on AMD GPUs.
 
   ::
 
-    -D ENABLE_OFFLOAD=ON -D ENABLE_CUDA=ON -D QMC_CUDA2HIP=ON -DCMAKE_HIP_ARCHITECTURES=gfx906
+    -D ENABLE_OFFLOAD=ON -D ENABLE_CUDA=ON -D QMC_CUDA2HIP=ON -D QMC_GPU_ARCHS=gfx90a
 
 Similarly, SYCL features can be enabled in conjunction with the offload code path to improve performance on Intel GPUs.