Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

NaN in short-LiH_ae-vmc_msdj-1-16 #5181

Closed
prckent opened this issue Sep 23, 2024 · 1 comment
Closed

NaN in short-LiH_ae-vmc_msdj-1-16 #5181

prckent opened this issue Sep 23, 2024 · 1 comment
Labels

Comments

@prckent
Copy link
Contributor

prckent commented Sep 23, 2024

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 precision issue than a logic bug. From the pass/fail log, occurs about 1 in 10 runs.

To Reproduce

develop, ctest -R short-LiH_ae-vmc_msdj-1-16

Expected behavior

No NaN.

System:

nitrogen2

@prckent prckent added the bug label Sep 23, 2024
@prckent
Copy link
Contributor Author

prckent commented Mar 23, 2025

This has not recurred in any recent builds, closing.

@prckent prckent closed this as completed Mar 23, 2025
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Projects
None yet
Development

No branches or pull requests

1 participant