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add tests whether simple examples for coupling to the LAMMPS library can run

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This commit is contained in:
Axel Kohlmeyer
2022-10-29 03:46:52 -04:00
parent 83dcf24092
commit c157b2dea2
4 changed files with 62 additions and 15 deletions
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8
examples/COUPLE/plugin/CMakeLists.txt
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@ -37,11 +37,11 @@ set(MPI_CXX_SKIP_MPICXX TRUE)
##########################
add_executable(simple simple.c liblammpsplugin.c)
target_link_libraries(simple PRIVATE MPI::MPI_C)
target_compile_definitions(simple PRIVATE LAMMPS_LIB_MPI)
add_executable(simple-plugin simple.c liblammpsplugin.c)
target_link_libraries(simple-plugin PRIVATE MPI::MPI_C)
target_compile_definitions(simple-plugin PRIVATE LAMMPS_LIB_MPI)
# link with -ldl or equivalent for plugin loading; except on Windows
if(NOT ${CMAKE_SYSTEM_NAME} STREQUAL "Windows")
target_link_libraries(simple PRIVATE ${CMAKE_DL_LIBS})
target_link_libraries(simple-plugin PRIVATE ${CMAKE_DL_LIBS})
endif()

8
examples/COUPLE/plugin/README
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@ -13,7 +13,7 @@ like below.
mpicc -c -O -DLAMMPS_LIB_MPI -Wall -g liblammpsplugin.c
mpicc -c -O -DLAMMPS_LIB_MPI -Wall -g simple.c
mpicc simple.o liblammpsplugin.o -ldl -o simpleC
mpicc simple.o liblammpsplugin.o -ldl -o simple-plugin
or using the provided CMake file with:
@ -36,14 +36,14 @@ cd build-shared
cmake -D BUILD_MPI=on -D BUILD_SHARED_LIBS=on ../cmake
make
You then run simpleC on a parallel machine
You then run simple-plugin on a parallel machine
on some number of processors Q with 3 arguments:
% mpirun -np Q simpleC P in.lj $HOME/lammps/src/liblammps.so
% mpirun -np Q simple-plugin P in.lj $HOME/lammps/src/liblammps.so
or
% mpirun -np Q simpleC P in.lj $HOME/lammps/build-shared/liblammps.so
% mpirun -np Q simple-plugin P in.lj $HOME/lammps/build-shared/liblammps.so
P is the number of procs you want LAMMPS to run on (must be <= Q) and
in.lj is a LAMMPS input script and the last argument is the path to