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Add verbose message function

This commit is contained in:
Paul Kent 2019-07-15 14:16:09 -04:00
parent 27ac31e1aa
commit adf5c04302
39 changed files with 66 additions and 194 deletions
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23
CMake/macros.cmake
View File

@ -102,9 +102,7 @@ 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_CONFIGURATION )
MESSAGE("Disabling test ${TESTNAME} (exceeds maximum number of processors ${TEST_MAX_PROCS})")
ENDIF()
MESSAGE_VERBOSE("Disabling test ${TESTNAME} (exceeds maximum number of processors ${TEST_MAX_PROCS})")
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}"
@ -120,9 +118,7 @@ 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_CONFIGURATION )
MESSAGE("Disabling test ${TESTNAME} (building without MPI)")
ENDIF()
MESSAGE_VERBOSE("Disabling test ${TESTNAME} (building without MPI)")
ENDIF()
ENDIF()
SET(TEST_LABELS_TEMP "")
@ -174,9 +170,7 @@ FUNCTION(QMC_RUN_AND_CHECK BASE_NAME BASE_DIR PREFIX INPUT_FILE PROCS THREADS SH
SET( TEST_ADDED FALSE )
SET( TEST_LABELS "")
SET( FULL_NAME "${BASE_NAME}-${PROCS}-${THREADS}" )
IF ( QMC_VERBOSE_CONFIGURATION )
MESSAGE("Adding test ${FULL_NAME}")
ENDIF()
MESSAGE_VERBOSE("Adding test ${FULL_NAME}")
RUN_QMC_APP(${FULL_NAME} ${BASE_DIR} ${PROCS} ${THREADS} TEST_ADDED TEST_LABELS ${INPUT_FILE})
IF ( TEST_ADDED )
SET_PROPERTY(TEST ${FULL_NAME} APPEND PROPERTY LABELS "QMCPACK")
@ -250,9 +244,7 @@ function(SIMPLE_RUN_AND_CHECK base_name base_dir input_file procs threads check_
# build test name
set(full_name "${base_name}-${procs}-${threads}")
IF ( QMC_VERBOSE_CONFIGURATION )
MESSAGE("Adding test ${full_name}")
ENDIF()
MESSAGE_VERBOSE("Adding test ${full_name}")
# add run (task 1)
set (test_added false)
@ -311,3 +303,10 @@ FUNCTION( CPU_LIMIT_RUN TESTNAME SRC_DIR PROCS THREADS TIME ${ARGN} )
SET_PROPERTY(TEST ${FULLNAME} APPEND PROPERTY PASS_REGULAR_EXPRESSION "Time limit reached for")
ENDIF()
ENDFUNCTION()
# Print THE_MESSAGE if verbose configuration is enabled
FUNCTION ( MESSAGE_VERBOSE THE_MESSAGE )
IF ( QMC_VERBOSE_CONFIGURATION )
MESSAGE( ${THE_MESSAGE} )
ENDIF()
ENDFUNCTION()

4
CMake/run_qe.cmake
View File

@ -16,9 +16,7 @@ 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_CONFIGURATION )
MESSAGE("Adding test ${FULL_NAME}")
ENDIF()
MESSAGE_VERBOSE("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)

4
CMake/unit_test.cmake
View File

@ -3,9 +3,7 @@ INCLUDE("${PROJECT_SOURCE_DIR}/CMake/test_labels.cmake")
# Runs unit tests
FUNCTION( ADD_UNIT_TEST TESTNAME TEST_BINARY )
IF ( QMC_VERBOSE_CONFIGURATION )
MESSAGE("Adding test ${TESTNAME}")
ENDIF()
MESSAGE_VERBOSE("Adding test ${TESTNAME}")
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 )

1
CMakeLists.txt
View File

@ -52,6 +52,7 @@ ENDIF()
######################################################################
# CTest
######################################################################
INCLUDE( "${qmcpack_SOURCE_DIR}/CMake/macros.cmake" )
SET( DROP_METHOD "http" )
SET( DROP_SITE "cdash.qmcpack.org" )
SET( DROP_LOCATION "/CDash/submit.php?project=QMCPACK" )

1
examples/afqmc/n2_vdz/CMakeLists.txt
View File

@ -1,6 +1,5 @@
INCLUDE( "${qmcpack_SOURCE_DIR}/CMake/macros.cmake" )
LIST(APPEND AFQMC_N2_SCALARS "Eloc" "-109.26 0.02")
QMC_RUN_AND_CHECK(short-afqmc-N2_vdz

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

@ -9,8 +9,6 @@
#// File created by: Fionn Malone, malone14@llnl.gov, LLNL
#//////////////////////////////////////////////////////////////////////////////////////
INCLUDE("${qmcpack_SOURCE_DIR}/CMake/macros.cmake")
SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${QMCPACK_UNIT_TEST_DIR})
SET(SRC_DIR afqmc_estimators)

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

@ -9,8 +9,6 @@
#// File created by: Mark Dewing, markdewing@gmail.com, University of Illinois at Urbana-Champaign
#//////////////////////////////////////////////////////////////////////////////////////
INCLUDE("${qmcpack_SOURCE_DIR}/CMake/macros.cmake")
SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${QMCPACK_UNIT_TEST_DIR})
SET(SRC_DIR afqmc_hamiltonian_operations)

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

@ -9,8 +9,6 @@
#// File created by: Mark Dewing, markdewing@gmail.com, University of Illinois at Urbana-Champaign
#//////////////////////////////////////////////////////////////////////////////////////
INCLUDE("${qmcpack_SOURCE_DIR}/CMake/macros.cmake")
SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${QMCPACK_UNIT_TEST_DIR})
SET(SRC_DIR afqmc_hamiltonians)

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

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

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

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

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

@ -9,8 +9,6 @@
#// File created by: Mark Dewing, markdewing@gmail.com, University of Illinois at Urbana-Champaign
#//////////////////////////////////////////////////////////////////////////////////////
INCLUDE("${qmcpack_SOURCE_DIR}/CMake/macros.cmake")
SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${QMCPACK_UNIT_TEST_DIR})
SET(SRC_DIR afqmc_prop_factory)

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

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

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

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

3
src/Optimize/tests/CMakeLists.txt
View File

@ -9,9 +9,6 @@
#// File created by: Mark Dewing, mdewing@anl.gov, Argonne National Laboratory
#//////////////////////////////////////////////////////////////////////////////////////
INCLUDE("${qmcpack_SOURCE_DIR}/CMake/macros.cmake")
SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${QMCPACK_UNIT_TEST_DIR})
SET(SRC_DIR optimize)

3
src/QMCWaveFunctions/tests/CMakeLists.txt
View File

@ -10,9 +10,6 @@
#// File created by: Ye Luo, yeluo@anl.gov, Argonne National Laboratory
#//////////////////////////////////////////////////////////////////////////////////////
INCLUDE("${qmcpack_SOURCE_DIR}/CMake/macros.cmake")
SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${QMCPACK_UNIT_TEST_DIR})
SET(SRC_DIR wavefunction)

3
src/type_traits/tests/CMakeLists.txt
View File

@ -10,9 +10,6 @@
#// File created by: Ye Luo, yeluo@anl.gov, Argonne National Laboratory
#//////////////////////////////////////////////////////////////////////////////////////
INCLUDE("${qmcpack_SOURCE_DIR}/CMake/macros.cmake")
SET(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${QMCPACK_UNIT_TEST_DIR})
SET(SRC_DIR type_traits)

1
tests/CMakeLists.txt
View File

@ -45,7 +45,6 @@ ENDIF()
if(NOT ${QMCAPP_ERR} STREQUAL "")
message("${QMCAPP_ERR} skipping tests")
else()
INCLUDE( "${qmcpack_SOURCE_DIR}/CMake/macros.cmake" )
SUBDIRS("heg/heg_14_gamma")
SUBDIRS("heg/heg_54_J2rpa")
SUBDIRS("molecules")

2
tests/estimator/CMakeLists.txt
View File

@ -19,8 +19,6 @@ endif()
#
if(NOT ${QMCAPP_ERR} STREQUAL "")
message("${QMCAPP_ERR} skipping tests")
else()
INCLUDE( "${qmcpack_SOURCE_DIR}/CMake/macros.cmake" )
endif()
set(skinetic_python_reqs numpy;h5py)

11
tests/heg/heg_14_gamma/CMakeLists.txt
View File

@ -267,14 +267,9 @@ IF (NOT QMC_COMPLEX)
)
ELSE()
IF ( QMC_VERBOSE_CONFIGURATION )
MESSAGE("Skipping HEG backflow tests because they are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
MESSAGE_VERBOSE("Skipping HEG backflow tests because they are not supported by complex build (QMC_COMPLEX=1)")
ENDIF()
ELSE()
IF ( QMC_VERBOSE_CONFIGURATION )
MESSAGE("Skipping all HEG tests because they are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()
ELSE()
MESSAGE_VERBOSE("Skipping all HEG tests because they are not supported by CUDA build (QMC_CUDA=1)")
ENDIF()

4
tests/io/CMakeLists.txt
View File

@ -13,9 +13,7 @@ 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_CONFIGURATION )
message("Adding test ${full_name}")
ENDIF()
MESSAGE_VERBOSE("Adding test ${full_name}")
# add run (task 1)
set (test_added false)

8
tests/molecules/C2_pp/CMakeLists.txt
View File

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

12
tests/molecules/CHN_ae/CMakeLists.txt
View File

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

8
tests/molecules/C_NO_ae/CMakeLists.txt
View File

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

8
tests/molecules/FeCO6_b3lyp_gms/CMakeLists.txt
View File

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

8
tests/molecules/FeCO6_b3lyp_pyscf/CMakeLists.txt
View File

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

8
tests/molecules/H2O_dimer_sep_pp/CMakeLists.txt
View File

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

12
tests/molecules/H2_ae/CMakeLists.txt
View File

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

8
tests/molecules/H4_ae/CMakeLists.txt
View File

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

8
tests/molecules/H4_msd_ae/CMakeLists.txt
View File

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

8
tests/molecules/Li2_STO_ae/CMakeLists.txt
View File

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

12
tests/molecules/LiH_ae_MSD/CMakeLists.txt
View File

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

8
tests/molecules/LiH_dimer_ae_gms/CMakeLists.txt
View File

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

8
tests/molecules/LiH_dimer_ae_pyscf/CMakeLists.txt
View File

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

8
tests/molecules/LiH_dimer_ae_qp/CMakeLists.txt
View File

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

8
tests/molecules/LiH_dimer_pp/CMakeLists.txt
View File

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

8
tests/performance/C-graphite/CMakeLists.txt
View File

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

24
tests/performance/C-molecule/CMakeLists.txt
View File

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

8
tests/performance/NiO/CMakeLists.txt
View File

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

4
tests/solids/NiO_a4_e48_pp/CMakeLists.txt
View File

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