Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Remove all QMC_CUDA dependencies on testsets #4442

Merged
merged 4 commits into from
Feb 7, 2023
Merged

Remove all QMC_CUDA dependencies on testsets #4442

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
4 commits
Select commit Hold shift + click to select a range
86d3d60
Remove QMC_CUDA dependencies on testset
Hyeondeok-Shin Feb 7, 2023
c348d17
Remove SUCCESS_STATUS_CUDA on testsets.
Hyeondeok-Shin Feb 7, 2023
d399471
cmake-format tests
ye-luo Feb 7, 2023
c5b16e0
Merge remote-tracking branch 'origin/develop' into pr/origin-4442
ye-luo Feb 7, 2023
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
6 changes: 0 additions & 6 deletions tests/CMakeLists.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -40,12 +40,6 @@ else()
set(SUCCESS_STATUS_OFFLOAD TRUE)
endif()

if(QMC_CUDA)
set(SUCCESS_STATUS_CUDA FALSE)
else()
set(SUCCESS_STATUS_CUDA TRUE)
endif()

if(BUILD_AFQMC)
include("${qmcpack_SOURCE_DIR}/CMake/python.cmake")
check_python_reqs("numpy;h5py;mpi4py;scipy;pyscf" afqmc_workflow add_tests)
Expand Down
4 changes: 2 additions & 2 deletions tests/afqmc/workflow/CMakeLists.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -22,8 +22,8 @@ function(ADD_AFQMC_PYSCF_WORKFLOW_TEST test_name input_dir TEST_SCALARS TEST_OBS
set(TESTNAME "converter_test_pyscf_to_afqmc_${test_name}")
add_test(
NAME ${TESTNAME}
COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${NPROC_INT} ${MPIEXEC_PREFLAGS}
${Python3_EXECUTABLE} ${PROJECT_SOURCE_DIR}/utils/afqmctools/bin/pyscf_to_afqmc.py ${ARGN}
COMMAND ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} ${NPROC_INT} ${MPIEXEC_PREFLAGS} ${Python3_EXECUTABLE}
${PROJECT_SOURCE_DIR}/utils/afqmctools/bin/pyscf_to_afqmc.py ${ARGN}
WORKING_DIRECTORY ${TESTDIR})
set_tests_properties(${TESTNAME} PROPERTIES DEPENDS "converter_test_pyscf_${test_name}")
set_property(TEST ${TESTNAME} APPEND PROPERTY LABELS "converter;afqmc")
Expand Down
51 changes: 31 additions & 20 deletions tests/converter/CMakeLists.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -7,30 +7,41 @@ function(ADD_CONVERTER_TEST test_name)
"${CMAKE_CURRENT_BINARY_DIR}/${test_name}")
set(EXE_NAME $<TARGET_FILE:convert4qmc>)
if(HAVE_MPI)
set(EXE_NAME ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 1 ${MPIEXEC_PREFLAGS}
$<TARGET_FILE:convert4qmc>)
set(EXE_NAME ${MPIEXEC_EXECUTABLE} ${MPIEXEC_NUMPROC_FLAG} 1 ${MPIEXEC_PREFLAGS} $<TARGET_FILE:convert4qmc>)
string(REPLACE ";" " " EXE_NAME "${EXE_NAME}")
endif()
add_test(NAME converter_${test_name}
COMMAND ${Python3_EXECUTABLE} "${CMAKE_CURRENT_BINARY_DIR}/converter_test.py" "${CMAKE_CURRENT_BINARY_DIR}/${test_name}" --exe
"${EXE_NAME}" --h5diff "${HDF5_DIFF_EXECUTABLE}")
set_tests_properties(converter_${test_name} PROPERTIES
FAIL_REGULAR_EXPRESSION " FAIL"
PASS_REGULAR_EXPRESSION " pass"
TIMEOUT 120 LABELS "converter;deterministic")
COMMAND ${Python3_EXECUTABLE} "${CMAKE_CURRENT_BINARY_DIR}/converter_test.py"
"${CMAKE_CURRENT_BINARY_DIR}/${test_name}" --exe "${EXE_NAME}" --h5diff "${HDF5_DIFF_EXECUTABLE}")
set_tests_properties(
converter_${test_name}
PROPERTIES FAIL_REGULAR_EXPRESSION
" FAIL"
PASS_REGULAR_EXPRESSION
" pass"
TIMEOUT
120
LABELS
"converter;deterministic")
endfunction()

function(ADD_PWCONVERTER_TEST test_name)
execute_process(COMMAND ${CMAKE_COMMAND} -E copy_directory "${CMAKE_CURRENT_SOURCE_DIR}/${test_name}"
"${CMAKE_CURRENT_BINARY_DIR}/${test_name}")
set(EXE_NAME $<TARGET_FILE:convertpw4qmc>)
add_test(NAME converter_${test_name}
COMMAND ${Python3_EXECUTABLE} "${CMAKE_CURRENT_BINARY_DIR}/pwconverter_test.py" "${CMAKE_CURRENT_BINARY_DIR}/${test_name}" --exe
"${EXE_NAME}" --h5diff "${HDF5_DIFF_EXECUTABLE}")
set_tests_properties(converter_${test_name} PROPERTIES
FAIL_REGULAR_EXPRESSION " FAIL"
PASS_REGULAR_EXPRESSION " pass"
TIMEOUT 120 LABELS "converter;deterministic")
COMMAND ${Python3_EXECUTABLE} "${CMAKE_CURRENT_BINARY_DIR}/pwconverter_test.py"
"${CMAKE_CURRENT_BINARY_DIR}/${test_name}" --exe "${EXE_NAME}" --h5diff "${HDF5_DIFF_EXECUTABLE}")
set_tests_properties(
converter_${test_name}
PROPERTIES FAIL_REGULAR_EXPRESSION
" FAIL"
PASS_REGULAR_EXPRESSION
" pass"
TIMEOUT
120
LABELS
"converter;deterministic")
endfunction()

execute_process(COMMAND ${CMAKE_COMMAND} -E copy "${CMAKE_CURRENT_SOURCE_DIR}/converter_test.py"
Expand Down Expand Up @@ -65,10 +76,10 @@ add_converter_test(test_diamond2_rmg)
add_converter_test(test_O_rmg)

if(HAVE_GPAW)
include("${qmcpack_SOURCE_DIR}/CMake/python.cmake")
check_python_reqs("numpy;h5py;ase;gpaw" gpaw4qmcpack_test add_tests)
if(add_tests)
message("Python dependencies met. Adding GPAW4QMCPACK tests")
add_subdirectory("gpaw")
endif()
include("${qmcpack_SOURCE_DIR}/CMake/python.cmake")
check_python_reqs("numpy;h5py;ase;gpaw" gpaw4qmcpack_test add_tests)
if(add_tests)
message("Python dependencies met. Adding GPAW4QMCPACK tests")
add_subdirectory("gpaw")
endif()
endif()
27 changes: 17 additions & 10 deletions tests/converter/gpaw/CMakeLists.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,18 +1,25 @@
# add tests for GPAW4QMCPACK converter
file(CREATE_LINK ${CMAKE_CURRENT_SOURCE_DIR}/gpaw4qmcpack_test.py ${CMAKE_CURRENT_BINARY_DIR}/gpaw4qmcpack_test.py SYMBOLIC)
file(CREATE_LINK ${CMAKE_CURRENT_SOURCE_DIR}/gpaw4qmcpack_test.py ${CMAKE_CURRENT_BINARY_DIR}/gpaw4qmcpack_test.py
SYMBOLIC)
function(ADD_GPAW4QMCPACK_TEST test_name)
set(EXE_NAME "${PROJECT_SOURCE_DIR}/src/QMCTools/gpaw4qmcpack.py")
file(MAKE_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}/${test_name}")
file(CREATE_LINK "${CMAKE_CURRENT_SOURCE_DIR}/${test_name}/restart.gpw"
"${CMAKE_CURRENT_BINARY_DIR}/${test_name}/restart.gpw" SYMBOLIC)
"${CMAKE_CURRENT_BINARY_DIR}/${test_name}/restart.gpw" SYMBOLIC)
file(CREATE_LINK "${CMAKE_CURRENT_SOURCE_DIR}/${test_name}/gold.orbs.h5"
"${CMAKE_CURRENT_BINARY_DIR}/${test_name}/gold.orbs.h5" SYMBOLIC)
add_test(NAME gpaw4qmcpack_test COMMAND "${CMAKE_CURRENT_BINARY_DIR}/gpaw4qmcpack_test.py"
"${CMAKE_CURRENT_BINARY_DIR}/${test_name}"
--exe "${EXE_NAME}" --h5diff "${HDF5_DIFF_EXECUTABLE}")
set_tests_properties(gpaw4qmcpack_test PROPERTIES
FAIL_REGULAR_EXPRESSION " FAIL"
PASS_REGULAR_EXPRESSION " pass"
TIMEOUT 120 LABELS "converter;deterministic")
"${CMAKE_CURRENT_BINARY_DIR}/${test_name}/gold.orbs.h5" SYMBOLIC)
add_test(NAME gpaw4qmcpack_test
COMMAND "${CMAKE_CURRENT_BINARY_DIR}/gpaw4qmcpack_test.py" "${CMAKE_CURRENT_BINARY_DIR}/${test_name}" --exe
"${EXE_NAME}" --h5diff "${HDF5_DIFF_EXECUTABLE}")
set_tests_properties(
gpaw4qmcpack_test
PROPERTIES FAIL_REGULAR_EXPRESSION
" FAIL"
PASS_REGULAR_EXPRESSION
" pass"
TIMEOUT
120
LABELS
"converter;deterministic")
endfunction()
add_gpaw4qmcpack_test(test_Si_diamond)
12 changes: 4 additions & 8 deletions tests/estimator/CMakeLists.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -76,18 +76,14 @@ if(add_test)
16
check_collectables_h5dat.py
dat-h5_allp)
simple_run_and_check(
estimator-acforce-legacy
"${qmcpack_SOURCE_DIR}/tests/estimator/acforce"
vmc.legacy.in.xml
1
16
check_forces.py)
simple_run_and_check(estimator-acforce-legacy "${qmcpack_SOURCE_DIR}/tests/estimator/acforce" vmc.legacy.in.xml 1 16
check_forces.py)
simple_run_and_check(
estimator-acforce-fast
"${qmcpack_SOURCE_DIR}/tests/estimator/acforce"
vmc.fast.in.xml
1
16
check_forces.py vmc.fast.s000.scalar.dat)
check_forces.py
vmc.fast.s000.scalar.dat)
endif()
22 changes: 9 additions & 13 deletions tests/heg/heg2d_4/CMakeLists.txt
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,14 +1,10 @@
if(NOT QMC_CUDA)
if(NOT MIXED_PRECISION)
simple_run_and_check(deterministic-heg2d-4_ae-deriv "${qmcpack_SOURCE_DIR}/tests/heg/heg2d_4" deriv.xml 1 1
check_deriv.py)

simple_run_and_check(deterministic-heg2d-4_ae-grad_lap "${qmcpack_SOURCE_DIR}/tests/heg/heg2d_4" grad_lap.xml 1 1
check_grad_lap.py)

else()
message(VERBOSE "Skipping eg2d derivative tests in mixed precision (QMC_MIXED_PRECISION=1)")
endif(NOT MIXED_PRECISION)
if(NOT MIXED_PRECISION)
simple_run_and_check(deterministic-heg2d-4_ae-deriv "${qmcpack_SOURCE_DIR}/tests/heg/heg2d_4" deriv.xml 1 1
check_deriv.py)

simple_run_and_check(deterministic-heg2d-4_ae-grad_lap "${qmcpack_SOURCE_DIR}/tests/heg/heg2d_4" grad_lap.xml 1 1
check_grad_lap.py)

else()
message(VERBOSE "Skipping eg2d derivative tests because they are not supported by CUDA build (QMC_CUDA=1)")
endif(NOT QMC_CUDA)
message(VERBOSE "Skipping eg2d derivative tests in mixed precision (QMC_MIXED_PRECISION=1)")
endif(NOT MIXED_PRECISION)
Loading