Update docs

CMakeLists.txt

@@ -58,9 +58,8 @@ option(QMC_COMPLEX "Build for complex binary" OFF)
 if(DEFINED ENABLE_CUDA OR DEFINED ENABLE_ROCM OR DEFINED QMC_CUDA2HIP OR DEFINED ENABLE_SYCL OR DEFINED ENABLE_OFFLOAD)
   message(
     FATAL_ERROR "ENABLE_CUDA, ENABLE_ROCM, QMC_CUDA2HIP, ENABLE_SYCL and ENABLE_OFFLOAD CMake options are removed. "
-                "When not building from scratch, their entries in CMakeCache.txt needs to be removed.\n"
-                "Use QMC_GPU option with its value selected from \"openmp;cuda;hip;sycl\". "
-                "Recommended values: \"openmp;cuda\" for NVIDIA, \"openmp;hip\" for AMD, \"openmp;sycl\" for Intel.")
+                "Use QMC_GPU instead. See details of this option explained in the user guide. "
+                "When not building from scratch, their cached entries in CMakeCache.txt needs to be removed.")
 endif()
 
 include(DetermineGPUFeatures)

README.md

@@ -190,12 +190,8 @@ before doing significant production. i.e. Check the details below.
                           Mixed precision calculations can be signifiantly faster but should be
                           carefully checked validated against full double precision runs,
                           particularly for large electron counts.
-    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.
-    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.
-    ENABLE_SYCL           ON/OFF(default). Enable SYCL code path. Only support Intel GPUs and OneAPI compilers.
+    QMC_GPU               Semicolon-separated list of GPU features to build (openmp,cuda,hip,sycl).
+                          "openmp", "cuda", "hip" and "sycl" for GPU acceleration via OpenMP offload, CUDA, HIP and SYCL.
     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

docs/installation.rst

@@ -287,12 +287,9 @@ the path to the source directory.
                           Mixed precision calculations can be signifiantly faster but should be
                           carefully checked validated against full double precision runs,
                           particularly for large electron counts.
-    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.
-    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.
-    ENABLE_SYCL           ON/OFF(default). Enable SYCL code path. Only support Intel GPUs and OneAPI compilers.
+    QMC_GPU               Semicolon-separated list of GPU features to build (openmp,cuda,hip,sycl).
+                          "openmp", "cuda", "hip" and "sycl" for GPU acceleration via OpenMP offload, CUDA, HIP and SYCL.
+                          Recommended values: "openmp;cuda" for NVIDIA, "openmp;hip" for AMD, "openmp;sycl" for Intel.
     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

src/config.h.cmake.in

@@ -32,7 +32,7 @@
 /* define PRINT_DEBUG */
 #cmakedefine PRINT_DEBUG @PRINT_DEBUG@
 
-/* Enable OpenMP offload. */
+/* build OpenMP target offload source code acceleration */
 #cmakedefine ENABLE_OFFLOAD @ENABLE_OFFLOAD@
 
 #ifdef ENABLE_OFFLOAD
@@ -105,10 +105,10 @@
 /* Disable hipHostRegister/hipHostUnregister */
 #cmakedefine QMC_DISABLE_HIP_HOST_REGISTER @QMC_DISABLE_HIP_HOST_REGISTER@
 
-/* Using CUDA for GPU execution, next generation */
+/* build CUDA source code or call libraries from CUDA toolkit for GPU acceleration */
 #cmakedefine ENABLE_CUDA @ENABLE_CUDA@
 
-/* Using SYCL for GPU execution */
+/* build SYCL source code for GPU acceleration */
 #cmakedefine ENABLE_SYCL @ENABLE_SYCL@
 
 /* Using boost::stacktrace */