Document QMC_MATH_VENDOR

CMake/FindAMDLibM.cmake

@@ -1,4 +1,8 @@
+# Output: HAVE_AMD_LIBM
+
 message(STATUS "Setting up AMD LibM libraries")
+message(WARNING "In limited benchmarks, AMD LibM slows down QMCPACK. "
+        "Please check carefully before using it in production runs.")
 
 include(CheckCXXSourceCompiles)
 
@@ -26,7 +30,8 @@ endif()
 
 set(CMAKE_REQUIRED_INCLUDES "${AMD_LIBM_INCLUDE_DIR}")
 set(CMAKE_REQUIRED_LIBRARIES "${AMD_LIBM_LIBRARY}")
-check_cxx_source_compiles("
+check_cxx_source_compiles(
+  "
 #include <amdlibm.h>
 int main() {
   double d_in(0), d_sin, d_cos;

CMake/FindMKLVML.cmake

@@ -1,4 +1,4 @@
-# Simple file to verify MKL VML 
+# Simple file to verify MKL VML
 # Input: MKL_FOUND, MKL_INCLUDE, MKL_LIBRARIES
 # Output: HAVE_MKL_VML
 
@@ -12,7 +12,7 @@ include(CheckIncludeFileCXX)
 
 # Check for mkl_vml_functions.h
 set(CMAKE_REQUIRED_INCLUDES "${MKL_INCLUDE}")
-CHECK_INCLUDE_FILE_CXX(mkl_vml_functions.h HAVE_MKL_VML)
+check_include_file_cxx(mkl_vml_functions.h HAVE_MKL_VML)
 unset(CMAKE_REQUIRED_INCLUDES)
 
 if(HAVE_MKL_VML)

CMakeLists.txt

@@ -609,8 +609,8 @@ if(NOT DEFINED MATH_VENDOR_GUESS)
   set(MATH_VENDOR_GUESS "GENERIC")
 endif()
 set(QMC_MATH_VENDOR
-  ${MATH_VENDOR_GUESS}
-  CACHE STRING "Vendor optimized libraries for scalar and vector math functions")
+    ${MATH_VENDOR_GUESS}
+    CACHE STRING "Vendor optimized libraries for scalar and vector math functions")
 
 # Perform math vendor option check
 if(NOT QMC_MATH_VENDOR IN_LIST VALID_MATH_VENDORS)

docs/installation.rst

@@ -345,6 +345,12 @@ the path to the source directory.
                         See full list at https://cmake.org/cmake/help/latest/module/FindLAPACK.html
     MKL_ROOT            Path to MKL libraries. Only necessary when auto-detection fails or overriding is desired.
 
+- Scalar and vector math functions
+
+  ::
+    QMC_MATH_VENDOR     Select a vendor optimized library for scalar and vector math functions.
+                        Providers are GENERIC INTEL_VML IBM_MASS AMD_LIBM
+
 - libxml2 related
 
   ::