qmcpack/CMake/run_qe.cmake

36 lines
2.2 KiB
CMake

# Runs unit tests
FUNCTION( ADD_QE_TEST TESTNAME PROCS TEST_BINARY NPOOL WORKDIR TEST_INPUT)
IF ( USE_MPI )
ADD_TEST( NAME ${TESTNAME} COMMAND ${MPIEXEC} ${MPIEXEC_NUMPROC_FLAG} ${PROCS} ${TEST_BINARY} -npool ${NPOOL} -inp ${TEST_INPUT} )
ELSE()
ADD_TEST( NAME ${TESTNAME} COMMAND ${TEST_BINARY} -npool 1 ${TEST_INPUT} )
ENDIF()
SET_TESTS_PROPERTIES( ${TESTNAME} PROPERTIES ENVIRONMENT OMP_NUM_THREADS=1 WORKING_DIRECTORY ${WORKDIR} )
SET_PROPERTY( TEST ${TESTNAME} APPEND PROPERTY LABELS "Quantum ESPRESSO" )
ENDFUNCTION()
FUNCTION( RUN_QE_TEST BASE_NAME SRC_DIR PROCS1 PROCS2 PROCS3 NPOOL1 NPOOL2 NPOOL3 TEST_INPUT_PREFIX TEST_NAME)
SET( FULL_NAME ${BASE_NAME}-np-${PROCS1}-${PROCS2}-${PROCS3}-nk-${NPOOL1}-${NPOOL2}-${NPOOL3} )
SET( ${TEST_NAME} ${FULL_NAME} PARENT_SCOPE)
SET( MY_WORKDIR ${CMAKE_CURRENT_BINARY_DIR}/${FULL_NAME} )
MESSAGE("Adding test ${FULL_NAME}")
COPY_DIRECTORY( "${SRC_DIR}" "${MY_WORKDIR}" )
ADD_QE_TEST(${FULL_NAME}-scf ${PROCS1} ${QE_BIN}/pw.x ${NPOOL1} ${MY_WORKDIR} ${TEST_INPUT_PREFIX}-scf.in )
IF(PROCS2 EQUAL 0)
ADD_QE_TEST(${FULL_NAME}-pw2x ${PROCS3} ${QE_BIN}/pw2qmcpack.x ${NPOOL3} ${MY_WORKDIR} ${TEST_INPUT_PREFIX}-pw2x.in )
SET_TESTS_PROPERTIES(${FULL_NAME}-pw2x PROPERTIES DEPENDS ${FULL_NAME}-scf)
ELSE(PROCS2 EQUAL 0)
ADD_QE_TEST(${FULL_NAME}-nscf ${PROCS2} ${QE_BIN}/pw.x ${NPOOL2} ${MY_WORKDIR} ${TEST_INPUT_PREFIX}-nscf.in )
SET_TESTS_PROPERTIES(${FULL_NAME}-nscf PROPERTIES DEPENDS ${FULL_NAME}-scf)
ADD_QE_TEST(${FULL_NAME}-pw2x ${PROCS3} ${QE_BIN}/pw2qmcpack.x ${NPOOL3} ${MY_WORKDIR} ${TEST_INPUT_PREFIX}-pw2x.in )
SET_TESTS_PROPERTIES(${FULL_NAME}-pw2x PROPERTIES DEPENDS ${FULL_NAME}-nscf)
ENDIF(PROCS2 EQUAL 0)
ENDFUNCTION()
FUNCTION( SOFTLINK_H5 SOURCE TARGET PREFIX FILENAME TEST_NAME)
SET(${TEST_NAME} "LINK_${SOURCE}_TO_${TARGET}" PARENT_SCOPE)
ADD_TEST( NAME LINK_${SOURCE}_TO_${TARGET} COMMAND ${qmcpack_SOURCE_DIR}/utils/clean_and_link_h5.sh ${SOURCE}/out/${PREFIX}.pwscf.h5 ${SOURCE}-${TARGET}/${FILENAME} )
SET_TESTS_PROPERTIES(LINK_${SOURCE}_TO_${TARGET} PROPERTIES DEPENDS ${SOURCE}-pw2x)
SET_PROPERTY( TEST LINK_${SOURCE}_TO_${TARGET} APPEND PROPERTY LABELS "Link h5" )
ENDFUNCTION()