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Implement flag for test verbosity

This commit is contained in:
Paul Kent 2019-07-12 21:03:53 -04:00
parent 570b047961
commit 2bc462988c
32 changed files with 187 additions and 61 deletions
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10
CMake/macros.cmake
View File

@ -102,7 +102,9 @@ FUNCTION( RUN_QMC_APP_NO_COPY TESTNAME WORKDIR PROCS THREADS TEST_ADDED TEST_LAB
SET( TEST_ADDED_TEMP FALSE )
IF ( USE_MPI )
IF ( ${TOT_PROCS} GREATER ${TEST_MAX_PROCS} )
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Disabling test ${TESTNAME} (exceeds maximum number of processors ${TEST_MAX_PROCS})")
ENDIF()
ELSEIF ( USE_MPI )
ADD_TEST( ${TESTNAME} ${MPIEXEC} ${MPIEXEC_NUMPROC_FLAG} ${PROCS} ${QMC_APP} ${ARGN} )
SET_TESTS_PROPERTIES( ${TESTNAME} PROPERTIES FAIL_REGULAR_EXPRESSION "${TEST_FAIL_REGULAR_EXPRESSION}"
@ -118,9 +120,11 @@ FUNCTION( RUN_QMC_APP_NO_COPY TESTNAME WORKDIR PROCS THREADS TEST_ADDED TEST_LAB
ENVIRONMENT OMP_NUM_THREADS=${THREADS} )
SET( TEST_ADDED_TEMP TRUE )
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Disabling test ${TESTNAME} (building without MPI)")
ENDIF()
ENDIF()
ENDIF()
SET(TEST_LABELS_TEMP "")
IF ( TEST_ADDED_TEMP )
ADD_TEST_LABELS( ${TESTNAME} TEST_LABELS_TEMP )
@ -170,7 +174,9 @@ FUNCTION(QMC_RUN_AND_CHECK BASE_NAME BASE_DIR PREFIX INPUT_FILE PROCS THREADS SH
SET( TEST_ADDED FALSE )
SET( TEST_LABELS "")
SET( FULL_NAME "${BASE_NAME}-${PROCS}-${THREADS}" )
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Adding test ${FULL_NAME}")
ENDIF()
RUN_QMC_APP(${FULL_NAME} ${BASE_DIR} ${PROCS} ${THREADS} TEST_ADDED TEST_LABELS ${INPUT_FILE})
IF ( TEST_ADDED )
SET_PROPERTY(TEST ${FULL_NAME} APPEND PROPERTY LABELS "QMCPACK")
@ -244,7 +250,9 @@ function(SIMPLE_RUN_AND_CHECK base_name base_dir input_file procs threads check_
# build test name
set(full_name "${base_name}-${procs}-${threads}")
message("Adding test ${full_name}")
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Adding test ${full_name}")
ENDIF()
# add run (task 1)
set (test_added false)

2
CMake/run_qe.cmake
View File

@ -16,7 +16,9 @@ FUNCTION( RUN_QE_TEST BASE_NAME SRC_DIR PROCS1 PROCS2 PROCS3 NPOOL1 NPOOL2 NPOOL
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} )
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Adding test ${FULL_NAME}")
ENDIF()
COPY_DIRECTORY( "${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)

2
CMake/unit_test.cmake
View File

@ -3,7 +3,9 @@ INCLUDE("${PROJECT_SOURCE_DIR}/CMake/test_labels.cmake")
# Runs unit tests
FUNCTION( ADD_UNIT_TEST TESTNAME TEST_BINARY )
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Adding test ${TESTNAME}")
ENDIF()
IF ( USE_MPI )
ADD_TEST(NAME ${TESTNAME} COMMAND ${MPIEXEC} ${MPIEXEC_NUMPROC_FLAG} 1 ${TEST_BINARY} ${ARGN})
#SET_TESTS_PROPERTIES( ${TESTNAME} PROPERTIES ENVIRONMENT OMP_NUM_THREADS=1 )

2
CMakeLists.txt
View File

@ -163,6 +163,8 @@ IF(ENABLE_CUDA AND QMC_CUDA)
MESSAGE(FATAL_ERROR "ENABLE_CUDA=1 and QMC_CUDA=1 can not be set together!")
ENDIF(ENABLE_CUDA AND QMC_CUDA)
SET(QMC_VERBOSE_TEST_CONFIGURATION 0 CACHE BOOL "Give details why specific tests are/are not added")
######################################################################
# set debug printout
# DEBUG_PSIBUFFER_ON keep track buffer's locator

2
nexus/tests/CMakeLists.txt
View File

@ -12,7 +12,7 @@ if (ADD_TEST)
EXECUTE_PROCESS(COMMAND ${PROJECT_SOURCE_DIR}/nexus/bin/nxs-test --ctestlist OUTPUT_VARIABLE TESTLIST)
#MESSAGE(" Nexus tests: ${TESTLIST}")
FOREACH(TESTNAME ${TESTLIST})
message("Adding test ntest_nexus_${TESTNAME}")
#message("Adding test ntest_nexus_${TESTNAME}")
set(NTEST "${qmcpack_SOURCE_DIR}/nexus/bin/nxs-test")
add_test(NAME ntest_nexus_${TESTNAME} COMMAND ${NTEST} -R ${TESTNAME} --ctest --pythonpath=${PROJECT_SOURCE_DIR}/nexus/lib)
set_property(TEST ntest_nexus_${TESTNAME} APPEND PROPERTY LABELS "nexus")

5
src/AFQMC/Matrix/tests/CMakeLists.txt
View File

@ -9,8 +9,9 @@
#// File created by: Mark Dewing, markdewing@gmail.com, University of Illinois at Urbana-Champaign
#//////////////////////////////////////////////////////////////////////////////////////
MESSAGE("Adding this unit test")
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Adding AFQMC matrix unit tests")
ENDIF()
SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${QMCPACK_UNIT_TEST_DIR})

5
src/AFQMC/Numerics/tests/CMakeLists.txt
View File

@ -9,8 +9,9 @@
#// File created by: Mark Dewing, markdewing@gmail.com, University of Illinois at Urbana-Champaign
#//////////////////////////////////////////////////////////////////////////////////////
MESSAGE("Adding this unit test")
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Adding AFQMC numerics unit tests")
ENDIF()
SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${QMCPACK_UNIT_TEST_DIR})

4
src/AFQMC/SlaterDeterminantOperations/tests/CMakeLists.txt
View File

@ -9,7 +9,9 @@
#// File created by: Mark Dewing, markdewing@gmail.com, University of Illinois at Urbana-Champaign
#//////////////////////////////////////////////////////////////////////////////////////
MESSAGE("Adding this unit test")
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Adding AFQMC Slater Determinant Operations unit tests")
ENDIF()
SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${QMCPACK_UNIT_TEST_DIR})

2
src/AFQMC/Walkers/tests/CMakeLists.txt
View File

@ -9,7 +9,9 @@
#// File created by: Mark Dewing, markdewing@gmail.com, University of Illinois at Urbana-Champaign
#//////////////////////////////////////////////////////////////////////////////////////
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Adding test test_sharedwset")
ENDIF()
SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${QMCPACK_UNIT_TEST_DIR})

7
tests/CMakeLists.txt
View File

@ -1,3 +1,8 @@
MESSAGE(STATUS "Creating integration tests for QMCPACK")
IF ( NOT QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Set QMC_VERBOSE_TEST_CONFIGURATION=1 for details of which tests will be enabled.")
ENDIF()
SUBDIRS(converter)
SUBDIRS(estimator)
SUBDIRS(models)
@ -7,6 +12,8 @@ SUBDIRS(performance)
IF(QE_BIN)
MESSAGE(STATUS "QE binary path ${QE_BIN}")
SUBDIRS(pw2qmcpack)
ELSE()
MESSAGE("QE_BIN is not set. Tests of pw2qmcpack and QE/PWSCF will not be performed.")
ENDIF()
message("Adding system tests for QMCPACK")

4
tests/heg/heg_14_gamma/CMakeLists.txt
View File

@ -267,10 +267,14 @@ IF (NOT QMC_COMPLEX)
)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping HEG backflow tests because they are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping all HEG tests because they are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

2
tests/io/CMakeLists.txt
View File

@ -13,7 +13,9 @@ function(RUN_RESTART_AND_CHECK base_name base_dir input_file procs threads check
# build test name
set(full_name "${base_name}-${procs}-${threads}")
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
message("Adding test ${full_name}")
ENDIF()
# add run (task 1)
set (test_added false)

4
tests/molecules/C2_pp/CMakeLists.txt
View File

@ -82,8 +82,12 @@ IF (NOT QMC_CUDA)
)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping C2_pp tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping C2_pp tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

6
tests/molecules/CHN_ae/CMakeLists.txt
View File

@ -26,11 +26,17 @@ IF(ENABLE_SOA)
)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping CuspCorrection tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping CuspCorrection tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping CuspCorrection tests for AOS build (ENABLE_SOA=0)")
ENDIF()
ENDIF()

4
tests/molecules/C_NO_ae/CMakeLists.txt
View File

@ -67,9 +67,13 @@ IF (NOT QMC_CUDA)
)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping C_NO_ae tests because the basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping C_NO_ae tests because the basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

4
tests/molecules/FeCO6_b3lyp_gms/CMakeLists.txt
View File

@ -36,9 +36,13 @@ IF (NOT QMC_CUDA)
)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping FeCO6_b3lyp_gms tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping FeCO6_b3lyp_gms tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

4
tests/molecules/FeCO6_b3lyp_pyscf/CMakeLists.txt
View File

@ -37,9 +37,13 @@ IF (NOT QMC_CUDA)
)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping FeCO6_b3lyp_gms tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping FeCO6_b3lyp_gms tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

4
tests/molecules/H2O_dimer_sep_pp/CMakeLists.txt
View File

@ -102,9 +102,13 @@ IF (NOT QMC_CUDA)
)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping H2O_dimer_sep_pp tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping H2O_dimer_sep_pp tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

6
tests/molecules/H2_ae/CMakeLists.txt
View File

@ -33,12 +33,18 @@ IF (NOT QMC_CUDA)
6 H2_FDLR_SCALARS # Final VMC step
TRUE)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping H4_FDLR test because lmyengine interface was not built (BUILD_LMYENGINE_INTERFACE=0)")
ENDIF()
ENDIF(BUILD_LMYENGINE_INTERFACE)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping H4_FDLR tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping H4_FDLR tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

4
tests/molecules/H4_ae/CMakeLists.txt
View File

@ -164,9 +164,13 @@ IF (NOT QMC_CUDA)
5 H4_OPT_SCALARS # OPT step 5
)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping H4_ae tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping H4_ae tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

4
tests/molecules/H4_msd_ae/CMakeLists.txt
View File

@ -17,9 +17,13 @@ IF (NOT QMC_CUDA)
4 H4_MSD_ORB_OPT_SCALARS # OPT step 4
)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping H4_msd_ae tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping H4_msd_ae tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

4
tests/molecules/Li2_STO_ae/CMakeLists.txt
View File

@ -49,9 +49,13 @@ IF (NOT QMC_CUDA)
)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping Li2_STO_ae tests because the basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping Li2_STO_ae tests because the basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

6
tests/molecules/LiH_ae_MSD/CMakeLists.txt
View File

@ -122,12 +122,18 @@ LIST(APPEND LiH_ae_MSD_OPT_CI_SCALARS "ionion" "0.995380119260 0.001000000000")
)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping LiH_ae_MSD tests because gaussian basis with HDF5 support are not supported by AoS build (ENABLE_SOA=0)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping LiH_ae_MSD tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping LiH_ae_MSD tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

4
tests/molecules/LiH_dimer_ae_gms/CMakeLists.txt
View File

@ -59,9 +59,13 @@ IF (NOT QMC_CUDA)
endif()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping LiH_dimer_ae tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping LiH_dimer_ae tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

4
tests/molecules/LiH_dimer_ae_pyscf/CMakeLists.txt
View File

@ -39,9 +39,13 @@ IF (NOT QMC_CUDA)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping LiH_dimer_ae tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping LiH_dimer_ae tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

4
tests/molecules/LiH_dimer_ae_qp/CMakeLists.txt
View File

@ -40,9 +40,13 @@ IF (NOT QMC_CUDA)
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping LiH_dimer_ae tests because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping LiH_dimer_ae tests because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

4
tests/molecules/LiH_dimer_pp/CMakeLists.txt
View File

@ -230,9 +230,13 @@ ENDIF()
endif()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping LiH_dimer_pp test because gaussian basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping LiH_dimer_pp test because gaussian basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

4
tests/performance/C-graphite/CMakeLists.txt
View File

@ -5,7 +5,9 @@
# QMC_DATA - C-graphite subdirectory should contain the *.h5 files
FUNCTION(ADD_C_GRAPHITE_TEST TEST_NAME TEST_DIR INPUT_FILE H5_FILE)
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Adding test ${TEST_NAME}")
ENDIF()
SET (WDIR "${qmcpack_BINARY_DIR}/tests/performance/C-graphite/${TEST_DIR}")
SET (SDIR "${CMAKE_SOURCE_DIR}/tests/performance/C-graphite/sample/${TEST_DIR}")
@ -49,7 +51,9 @@ FUNCTION(ADD_C_GRAPHITE_TEST TEST_NAME TEST_DIR INPUT_FILE H5_FILE)
ENDFUNCTION()
IF (NOT QMC_DATA)
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("QMC_DATA not set. Performance tests not added.")
ENDIF()
ELSEIF(NOT EXISTS ${QMC_DATA}/C-graphite)
MESSAGE("C-graphite directory under QMC_DATA does not exist. C-graphite performance tests not added.")
ELSE()

12
tests/performance/C-molecule/CMakeLists.txt
View File

@ -7,7 +7,9 @@
IF (NOT QMC_CUDA)
IF (NOT QMC_COMPLEX)
FUNCTION(ADD_C_MOLECULE_TEST TEST_NAME TEST_DIR TEST_SOURCE_DIR INPUT_FILE H5_FILE ADJUST_INPUT)
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Adding test ${TEST_NAME}")
ENDIF()
SET (WDIR "${qmcpack_BINARY_DIR}/tests/performance/C-molecule/${TEST_DIR}")
SET (SDIR "${CMAKE_SOURCE_DIR}/tests/performance/C-molecule/sample/${TEST_SOURCE_DIR}")
@ -55,7 +57,9 @@ IF (NOT QMC_CUDA)
ENDFUNCTION()
IF (NOT QMC_DATA)
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("QMC_DATA not set. Performance tests not added.")
ENDIF()
ELSEIF(NOT EXISTS ${QMC_DATA}/C-molecule)
MESSAGE("C-molecule directory under QMC_DATA does not exist. C-molecule performance tests not added.")
ELSE()
@ -68,8 +72,10 @@ IF (NOT QMC_CUDA)
LIST(REMOVE_ITEM C_SIZES ${SIZE})
ENDIF()
ENDFOREACH()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("C-molecule sizes to benchmark: ${C_SIZES}")
ENDIF()
ENDIF()
SET(ADJUST_INPUT "-i")
@ -99,16 +105,22 @@ IF (NOT QMC_CUDA)
SET(TEST_DIR dmc-C${ATOM_COUNT}-e${ELECTRON_COUNT}-${POTENTIAL_TYPE}-J3)
ADD_C_MOLECULE_TEST(${PERF_TEST} ${TEST_DIR} ${TEST_SOURCE_DIR} ${INPUT_FILE} ${H5_FILE} "${ADJUST_INPUT} -j ${TEST_DIR}/J123.xml")
ELSEIF(NOT (SIZE MATCHES "60" AND POTENTIAL_TYPE MATCHES "ae"))
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("performance-C-molecule-C${ATOM_COUNT}-e${ELECTRON_COUNT} not added because the corresponding h5 file not found: ${H5_FULL_PATH}")
ENDIF()
ENDIF()
ENDFOREACH()
ENDFOREACH()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping C-molecule performance tests because the basis sets are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ENDIF()
ELSE()
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Skipping C-molecule performance tests because the basis sets are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ENDIF()

5
tests/performance/CMakeLists.txt
View File

@ -2,7 +2,12 @@
# Add performance tests to ctest
#############################################################
IF (NOT QMC_DATA)
MESSAGE("QMC_DATA is not set. Performance tests will be skipped.")
ELSE()
message("Adding performance tests for QMCPACK")
ENDIF()
# includes
SUBDIRS(NiO C-graphite C-molecule)

4
tests/performance/NiO/CMakeLists.txt
View File

@ -5,7 +5,9 @@
# QMC_DATA - NiO subdirectory should contain the *.h5 files
FUNCTION(ADD_NIO_TEST TEST_NAME TEST_DIR TEST_SOURCE_DIR INPUT_FILE H5_FILE ADJUST_INPUT)
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("Adding test ${TEST_NAME}")
ENDIF()
SET (WDIR "${qmcpack_BINARY_DIR}/tests/performance/NiO/${TEST_DIR}")
SET (SDIR "${CMAKE_SOURCE_DIR}/tests/performance/NiO/sample/${TEST_SOURCE_DIR}")
@ -53,7 +55,9 @@ FUNCTION(ADD_NIO_TEST TEST_NAME TEST_DIR TEST_SOURCE_DIR INPUT_FILE H5_FILE ADJU
ENDFUNCTION()
IF (NOT QMC_DATA)
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("QMC_DATA not set. Performance tests not added.")
ENDIF()
ELSEIF(NOT EXISTS ${QMC_DATA}/NiO)
MESSAGE("NiO directory under QMC_DATA does not exist. NiO performance tests not added.")
ELSE()

2
tests/solids/NiO_a4_e48_pp/CMakeLists.txt
View File

@ -1,5 +1,7 @@
IF (NOT QMC_DATA)
IF ( QMC_VERBOSE_TEST_CONFIGURATION )
MESSAGE("QMC_DATA not set. NiO_a4_e48_pp tests not added.")
ENDIF()
ELSEIF(NOT EXISTS ${QMC_DATA}/NiO)
MESSAGE("NiO directory under QMC_DATA does not exist. NiO_a4_e48_pp tests not added.")
ELSE()