qmcpack

History

Ye Luo 61d3bd1192 Merge branch 'develop' into pyscf_workflow		2020-01-04 07:26:02 +08:00
..
afqmc	added MPIEXEC_PREFLAGS for passing flags to MPIEXEC directly before the executable to run	2019-11-25 13:55:20 -07:00
converter	Decode stderr from Popen	2019-12-09 23:15:25 -06:00
coverage	Update coverage scripts to be Python 3 compatible	2019-12-16 16:50:08 -06:00
estimator	add better test of latdev	2019-09-24 15:53:52 -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	fix typo in sho input	2019-09-24 11:13:11 -05:00
molecules	Skip orbital rotation tests on AoS build.	2019-10-21 17:47:50 -05:00
performance	added MPIEXEC_PREFLAGS for passing flags to MPIEXEC directly before the executable to run	2019-11-25 13:55:20 -07:00
pseudopotentials_for_tests	Fix weird colun labelling issue. Increase cutoff to 1e-17	2019-08-20 13:58:28 -06:00
pw2qmcpack	Fix parallel testing on bora.	2019-12-20 23:45:09 -06:00
pyscf	Add pyscf workflow test	2019-12-19 16:40:59 -06:00
reference_data	add build type info to reference data	2019-01-14 11:07:59 -05:00
scripts	Remove BGQ in manual and test script.	2020-01-03 08:50:43 +08:00
solids	Add pyscf workflow test	2019-12-19 16:40:59 -06:00
test_automation	Fix parallel testing on bora.	2019-12-20 23:45:09 -06:00
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