qmcpack

History

Peter Doak 20f6690b1d Apply QMC_NO_SLOW_CUSTOM_TESTING_COMMANDS to CI scripts		2020-02-05 23:29:56 -05:00
..
afqmc	Require Python3	2020-01-08 12:52:22 -05:00
converter	Require Python3	2020-01-08 12:52:22 -05:00
coverage	Update coverage scripts to be Python 3 compatible	2019-12-16 16:50:08 -06:00
estimator	Merge branch 'develop' into test_estimator_py3	2020-01-09 14:40:24 -05:00
heg	Add verbose message function	2019-07-15 14:16:09 -04:00
io	Update restart tests.	2019-08-01 15:23:07 -05:00
models	updated test for grid external potential	2020-01-14 10:04:59 -05:00
molecules	Make the C2 test names consistent.	2020-01-10 11:04:39 +08:00
performance	allow reconfig via runwhileincorrect input	2020-01-28 15:33:09 -05:00
pseudopotentials_for_tests	Fix weird colun labelling issue. Increase cutoff to 1e-17	2019-08-20 13:58:28 -06:00
pw2qmcpack	this takes care of the issue for pw2qmcpack tests	2020-01-10 18:27:40 -05:00
pyscf	this should make the same fix or pyscf	2020-01-10 18:37:38 -05:00
reference_data	add build type info to reference data	2019-01-14 11:07:59 -05:00
scripts	Enable nightly tests on ALCF Theta.	2020-01-13 04:38:34 -06:00
solids	Merge branch 'develop' into fix_multiplicity	2020-01-31 14:16:14 -05:00
test_automation	Apply QMC_NO_SLOW_CUSTOM_TESTING_COMMANDS to CI scripts	2020-02-05 23:29:56 -05:00
CMakeLists.txt	Add pyscf workflow test	2019-12-19 16:40:59 -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