qmcpack

History

Ye Luo f075a63be2 Merge branch 'develop' into mstd_l2_dmc		2020-10-30 13:24:23 -05:00
..
afqmc	Update permissions.	2020-09-08 11:19:48 -07:00
converter	Deprecate gamessAscii from all files including nexus	2020-10-14 11:05:00 -05:00
coverage	Update compare_gcov.py	2020-09-08 15:45:22 -05:00
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	update test input file	2020-10-30 13:13:49 -04:00
performance	Fix python invocation in tests/performance	2020-09-08 15:45:22 -05:00
pseudopotentials_for_tests	working unit test for SOECP evaluation	2020-02-14 09:16:40 -07:00
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	remove bind2nd	2020-09-22 15:18:52 -05:00
solids	update readme	2020-10-22 12:57:36 -04:00
test_automation	Remove ENABLE_MKL in docs and test scripts.	2020-10-28 22:18:24 -05:00
CMakeLists.txt	remove enable_soa from tests/CMakeLists.txt	2020-05-19 09:24:24 -04:00
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