Paul R. C. Kent
Paul R. C. Kent
Unit test needed similar to test_MO with large numbers of (fake) splines to catch errors such as #4439 . See discussion in #4443 . The number of splines should be...
**Describe the bug** https://cdash.qmcpack.org/CDash/testSummary.php?project=1&name=short-H4-orb-opt-dmc-16-1&date=2023-02-21 This has been broken for some time. There is a crash on starting DMC. This should be investigated to see if there is some missing plumbing...
## Proposed changes This is an experiment to see if adding two more coverage runs is reliable and practical/fast enough. It adds the "missing" MPI Mixed precision builds to GitHub...
Assuming we have learned all we need for the Exascale project from the current version of the miniapp, we need to ask whether we need to make a new version...
I noticed in #5049 that the macos CI failed due to the use of Numpy 2.0 which was released on 17 June. 69 test failures. Possibly we can pin Numpy...
**Describe the bug** NaN guard tripped with grads[1]=-nan for particle 2 in gcc no mpi mixed debug build. https://cdash.qmcpack.org/testSummary.php?project=1&name=short-LiH_ae-vmc_msdj-1-16&date=2024-09-23 All the other builds are behaving, so hopefully more of a...
**Describe the bug** Amazingly the GCC14-NoMPI-Complex-Mixed-Debug run of short-diamondC_1x1x1_pp-dmc_sdj-1-16 ( https://cdash.qmcpack.org/tests/4312408 ) is giving an assertion failure indicating a bad index, and subsequently aborting. It is the only configuration for...
**Describe the bug** For the excited state case, the C4 multideterminant tests seem to be wrong in mixed precision. The ground state calculation looks more reliable, but there are still...
The v4.0 release will switch the default driver path to "batched". https://qmcpack.readthedocs.io/en/develop/input_overview.html#driver-version-parameter A large number of test inputs will need updating to specify legacy.