docs: add openmpi compiler wrappers to requirements

CMakeLists.txt

@@ -1,6 +1,6 @@
 # run cmake with " cmake -S [source dir of targerts] -B [build dir for makefile] "
 # e.g. could run cmake with these compiler options:
-# cmake -S ./ -B ./build -DCMAKE_CXX_COMPILER=g++ -DCMAKE_C_COMPILER=gcc -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON -DKokkos_ENABLE_OPENMP=ON
+# cmake -S ./ -B ./build -DCMAKE_CXX_COMPILER=mpic++ -DCMAKE_C_COMPILER=mpicc -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON -DKokkos_ENABLE_OPENMP=ON
 
 # set cmake version
 cmake_minimum_required(VERSION 3.18.0)

docs/source/usage/requirements.rst

@@ -22,17 +22,18 @@ Compilers
 ---------
 A C++ compiler with the C++20 standard library is the absolute minimum.
 
-On Levante you can use the latest gcc compilers. At the time of writing this is gcc 11.2.0, e.g.
+On Levante you can use the latest MPI compiler wrappers for the gcc compilers.
+At the time of writing this is gcc 11.2.0, e.g.
 
 .. code-block:: console
 
-  $ module load gcc/11.2.0-gcc-11.2.0
+  $ module load gcc/11.2.0-gcc-11.2.0 openmpi/4.1.2-gcc-11.2.0
 
-To compile with CUDA, use Levante's latest nvhpc compilers, e.g.
+To compile with C++ and CUDA, use Levante's latest gcc and nvhpc compilers, e.g.
 
 .. code-block:: console
 
-  $ module load nvhpc/23.9-gcc-11.2.0
+  $ module load gcc/11.2.0-gcc-11.2.0 nvhpc/23.9-gcc-11.2.0 openmpi/4.1.6-nvhpc-23.9
 
 Python
 ------

roughpaper/scratch/CMakeLists.txt

@@ -1,4 +1,5 @@
-# module load gcc && CXX=g++ CC=gcc cmake -S ./ -B ./build -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON
+# module load gcc/11.2.0-gcc-11.2.0 openmpi/4.1.2-gcc-11.2.0
+# CXX=mpic++ CC=mpicc cmake -S ./ -B ./build -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON
 
 # set cmake version
 if(NOT DEFINED CMAKE_MINIMUM_REQUIRED_VERSION)

scripts/cmakebuild-examples.txt

@@ -26,6 +26,8 @@
 ### using nvcc compiler:
 ###     nvhpc > 22.3
 ###     with cmake 3.21.1
+### using appropriate openmpi library for chosen compiler
+###     (e.g. via Levante compiler wrappers)
 ### ----------------------------- ###
 
 ### -- CLEO PySD Requirements --- ###
@@ -44,26 +46,27 @@ e.g. spack find cmake
 -DKokkos_ENABLE_CUDA_LAMBDA=ON
 -DKokkos_ENABLE_CUDA_UVM=ON (depreciated)
 
-OPENMP ENABLED build:
-module load gcc
-CXX=g++ CC=gcc cmake -S ./ -B ./build -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON -DKokkos_ENABLE_OPENMP=ON
-
+SERIAL ONLY build (no MPI):
+module load gcc/11.2.0-gcc-11.2.0
+CXX=g++ CC=gcc cmake -S ./ -B ./build -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON
+CXX=nvc++ CC=nvcc cmake -S ./ -B ./build -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON
 or perhaps:
-CXX=g++-13 CC=gcc-13 cmake -S ./ -B ./build -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON -DKokkos_ENABLE_OPENMP=ON
+CXX=g++-13 CC=gcc-13 cmake -S ./ -B ./build -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON
 
-GPU (CUDA) ENABLED build:
-module load gcc
-module load nvhpc
-spack load [email protected]%gcc
-CXX=nvc++ CC=nvcc cmake -S ./ -B ./build -DKokkos_ARCH_AMPERE80=ON -DKokkos_ENABLE_SERIAL=ON -DKokkos_ENABLE_CUDA=ON -DKokkos_ENABLE_CUDA_LAMBDA=ON -DKokkos_ENABLE_CUDA_UVM=ON
+MPI + SERIAL ONLY build
+module load gcc/11.2.0-gcc-11.2.0 openmpi/4.1.2-gcc-11.2.0
+CXX=mpi++ CC=mpicc cmake -S ./ -B ./build -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON
 
-SERIAL ONLY build:
-module load gcc
-CXX=g++ CC=gcc cmake -S ./ -B ./build -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON
-CXX=nvc++ CC=nvcc cmake -S ./ -B ./build -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON
+MPI + OPENMP ENABLED build:
+module load gcc/11.2.0-gcc-11.2.0 openmpi/4.1.2-gcc-11.2.0
+CXX=mpi++ CC=mpicc cmake -S ./ -B ./build -DKokkos_ARCH_NATIVE=ON -DKokkos_ENABLE_SERIAL=ON -DKokkos_ENABLE_OPENMP=ON
+
+MPI + GPU (CUDA) ENABLED build:
+module load gcc/11.2.0-gcc-11.2.0 nvhpc/23.9-gcc-11.2.0 openmpi/4.1.6-nvhpc-23.9
+spack load [email protected]%gcc
+CXX=mpic++ CC=mpicc cmake -S ./ -B ./build -DKokkos_ARCH_AMPERE80=ON -DKokkos_ENABLE_SERIAL=ON -DKokkos_ENABLE_CUDA=ON -DKokkos_ENABLE_CUDA_LAMBDA=ON -DKokkos_ENABLE_CUDA_UVM=ON
 
-CUDA and OPENMP build:
-module load gcc
-module load nvhpc
+MPI + CUDA and OPENMP build:
+module load gcc/11.2.0-gcc-11.2.0 nvhpc/23.9-gcc-11.2.0 openmpi/4.1.6-nvhpc-23.9
 spack load [email protected]%gcc
-CXX=nvc++ CC=nvcc cmake -S ./ -B ./build -DKokkos_ARCH_AMPERE80=ON -DKokkos_ENABLE_SERIAL=ON -DKokkos_ENABLE_OPENMP=ON -DKokkos_ENABLE_CUDA=ON -DKokkos_ENABLE_CUDA_LAMBDA=ON -DKokkos_ENABLE_CUDA_UVM=ON
+CXX=mpic++ CC=mpicc cmake -S ./ -B ./build -DKokkos_ARCH_AMPERE80=ON -DKokkos_ENABLE_SERIAL=ON -DKokkos_ENABLE_OPENMP=ON -DKokkos_ENABLE_CUDA=ON -DKokkos_ENABLE_CUDA_LAMBDA=ON -DKokkos_ENABLE_CUDA_UVM=ON