qmcpack/tests
Ye Luo 431e3adf3b Update deterministic-diamondC_2x1x1_pp-vmcbatch-dmcbatch-mwalkers-serialized_sdj reference values.
serialize calls makeMoveAndCheck which has outOfBound(displ) check.
2024-11-06 17:44:04 -06:00
..
afqmc cmake-format tests 2023-02-07 16:16:20 -06:00
converter multidet info in one hdf5, update test 2024-05-24 16:32:46 -06:00
coverage Update compare_gcov.py 2020-09-08 15:45:22 -05:00
estimator Check python modules before adding self-healing tests. 2024-08-27 16:43:14 -05:00
heg Replace sposet_builder to sposet_collection 2023-09-14 11:42:46 -05:00
io Remove parameters in determinant and clean up 2023-09-15 09:18:26 -05:00
models cmake-format tests 2023-02-07 16:16:20 -06:00
molecules Undo H4 change 2024-09-19 17:36:22 -04:00
performance Enable exclusive GPU for ENABLE_SYCL. 2024-06-13 22:21:30 -05:00
pseudopotentials_for_tests Add test for parameter derivative with NLPP 2023-01-09 16:29:50 -06:00
pw2qmcpack format CMake files. 2021-06-07 12:46:46 -05:00
pyscf format CMake files. 2021-06-07 12:46:46 -05:00
reference_data add build type info to reference data 2019-01-14 11:07:59 -05:00
rmg cmake-format tests 2023-02-07 16:16:20 -06:00
scripts leave no trace 2024-06-06 16:26:41 -04:00
solids Update deterministic-diamondC_2x1x1_pp-vmcbatch-dmcbatch-mwalkers-serialized_sdj reference values. 2024-11-06 17:44:04 -06:00
test_automation Merge branch 'develop' into set-openmp-runtime-rpath 2024-10-04 13:20:21 -05:00
CMakeLists.txt Remove SUCCESS_STATUS_CUDA on testsets. 2023-02-07 13:18:38 -06:00
README Enable plane wave tests for bccH. Only uses 100 blocks vs 1000 for spline case. 2016-12-18 22:52:18 +00:00

README

These directories contain input files for the automated test
system. They are not intended to be run separately although any
QMCPACK inputs should run to completion when run from the same
directory as the input, e.g. mpirun -n 16 qmcpack vmc.in.xml

To run the automated tests, from the build directory, run

ctest -R short

for the short running tests. These take a few minutes to run on a 16
core machine. To run all tests simply run

ctest

Running all tests requires several hours due to strict statistics. You
can increase verbosity with "ctest -V".

The test definitions and configuration are in
src/tests/system/CMakeLists.txt