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Merge branch 'develop' of https://github.com/QMCPACK/qmcpack into gpa…
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,12 @@ | ||
| # Locate rmg-cpu | ||
| # Take RMG_BIN as hint for location | ||
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| find_program(RMG_CPU_EXE rmg-cpu HINTS ${RMG_BIN}) | ||
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| set(RMG_FOUND FALSE) | ||
| if(RMG_CPU_EXE) | ||
| MESSAGE(STATUS "RMG_CPU_EXE=${RMG_CPU_EXE}") | ||
| set(RMG_FOUND TRUE) | ||
| endif() | ||
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| mark_as_advanced(RMG_CPU_EXE RMG_FOUND) |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,110 @@ | ||
| # functions for RMG workflow test | ||
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| if(QMC_NO_SLOW_CUSTOM_TESTING_COMMANDS) | ||
| function(ADD_RMG_TEST) | ||
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| endfunction() | ||
| function(RUN_RMG_TEST) | ||
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| endfunction() | ||
| else(QMC_NO_SLOW_CUSTOM_TESTING_COMMANDS) | ||
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| function( | ||
| ADD_RMG_TEST | ||
| TESTNAME | ||
| NPROCS | ||
| NTHREADS | ||
| TEST_BINARY | ||
| WORKDIR | ||
| TEST_INPUT) | ||
| #if(HAVE_MPI) | ||
| # add_test(NAME ${TESTNAME} COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${NPROCS} ${MPIEXEC_PREFLAGS} | ||
| # ${TEST_BINARY} ${TEST_INPUT}) | ||
| #else(HAVE_MPI) | ||
| add_test(NAME ${TESTNAME} COMMAND ${TEST_BINARY} ${TEST_INPUT}) | ||
| #endif(HAVE_MPI) | ||
| set_tests_properties( | ||
| ${TESTNAME} | ||
| PROPERTIES ENVIRONMENT | ||
| "OMP_NUM_THREADS=${NTHREADS};RMG_NUM_THREADS=${NTHREADS}" | ||
| PROCESSORS | ||
| ${NPROCS} | ||
| PROCESSOR_AFFINITY | ||
| TRUE | ||
| WORKING_DIRECTORY | ||
| ${WORKDIR}) | ||
| set_property( | ||
| TEST ${TESTNAME} | ||
| APPEND | ||
| PROPERTY LABELS "converter;rmg") | ||
| endfunction() | ||
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| function( | ||
| ADD_RMG_CONVERT_TEST | ||
| TESTNAME | ||
| PREFIX | ||
| WORKDIR | ||
| TEST_INPUT) | ||
| add_test(NAME ${TESTNAME} COMMAND $<TARGET_FILE:convert4qmc> -rmg ${TEST_INPUT} -prefix ${PREFIX}) | ||
| set_tests_properties( | ||
| ${TESTNAME} | ||
| PROPERTIES | ||
| WORKING_DIRECTORY | ||
| ${WORKDIR}) | ||
| set_property( | ||
| TEST ${TESTNAME} | ||
| APPEND | ||
| PROPERTY LABELS "converter;rmg") | ||
| endfunction() | ||
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| function( | ||
| RUN_RMG_TEST | ||
| BASE_NAME | ||
| SRC_DIR | ||
| NPROCS | ||
| NTHREADS | ||
| TEST_NAME) | ||
| set(FULL_NAME ${BASE_NAME}-np-${NPROCS}) | ||
| set(${TEST_NAME} | ||
| ${FULL_NAME} | ||
| PARENT_SCOPE) | ||
| set(MY_WORKDIR ${CMAKE_CURRENT_BINARY_DIR}/${FULL_NAME}) | ||
| message(VERBOSE "Adding test ${FULL_NAME}") | ||
| copy_directory("${SRC_DIR}" "${MY_WORKDIR}") | ||
| message("workdir: ${MY_WORKDIR}") | ||
| add_rmg_test(${FULL_NAME}-scf ${NPROCS} ${NTHREADS} ${RMG_CPU_EXE} ${MY_WORKDIR} input) | ||
| softlink_h5_rmg_waves(${FULL_NAME} ${BASE_NAME}) | ||
| add_rmg_convert_test(${FULL_NAME}-rmg2qmc ${BASE_NAME} ${MY_WORKDIR} ${BASE_NAME}.h5) | ||
| set_tests_properties(${FULL_NAME}-rmg2qmc PROPERTIES DEPENDS ${FULL_NAME}-scf) | ||
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| endfunction() | ||
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| endif(QMC_NO_SLOW_CUSTOM_TESTING_COMMANDS) | ||
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| function(SOFTLINK_H5_RMG_WAVES SOURCE PREFIX) | ||
| # set(${TEST_NAME} | ||
| # "LINK_${SOURCE}_h5_Waves" | ||
| # PARENT_SCOPE) | ||
| add_test(NAME LINK_${SOURCE}_h5_Waves COMMAND ${qmcpack_SOURCE_DIR}/tests/scripts/clean_and_link_h5.sh | ||
| ${SOURCE}/Waves/wave.out.h5 ${SOURCE}/${PREFIX}.h5) | ||
| set_tests_properties(LINK_${SOURCE}_h5_Waves PROPERTIES DEPENDS ${SOURCE}-scf) | ||
| set_property(TEST LINK_${SOURCE}_h5_Waves APPEND PROPERTY LABELS "rmg") | ||
| endfunction() | ||
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| function(SOFTLINK_RMG_INPUT SOURCE TARGET PREFIX TEST_NAME) | ||
| set(${TEST_NAME} | ||
| "LINK_${SOURCE}_TO_${TARGET}" | ||
| PARENT_SCOPE) | ||
| add_test(NAME LINK_${SOURCE}_TO_${TARGET} COMMAND ${qmcpack_SOURCE_DIR}/tests/scripts/clean_and_link_h5.sh | ||
| ${SOURCE}/${PREFIX}.h5 ${SOURCE}-${TARGET}/${PREFIX}.h5) | ||
| set_tests_properties(LINK_${SOURCE}_TO_${TARGET} PROPERTIES DEPENDS ${SOURCE}-scf) | ||
| set_property(TEST LINK_${SOURCE}_TO_${TARGET} APPEND PROPERTY LABELS "rmg") | ||
| add_test(NAME COPY_${SOURCE}_XML_TO_${TARGET} COMMAND | ||
| bash -c "mkdir -p ${SOURCE}-${TARGET}; \ | ||
| cp ${SOURCE}/${PREFIX}.structure.xml ${SOURCE}-${TARGET}/${PREFIX}.structure.xml ; \ | ||
| cp ${SOURCE}/${PREFIX}.wfnoj.xml ${SOURCE}-${TARGET}/${PREFIX}.wfnoj.xml ; \ | ||
| cp ${SOURCE}/*.qmcpp.xml ${SOURCE}-${TARGET}/") | ||
| set_tests_properties(COPY_${SOURCE}_XML_TO_${TARGET} PROPERTIES DEPENDS ${SOURCE}-scf) | ||
| set_property(TEST COPY_${SOURCE}_XML_TO_${TARGET} APPEND PROPERTY LABELS "rmg") | ||
| endfunction() | ||
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