Skip to content

Close issue #3274 #3279

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.

Sign up for GitHub

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

Jump to bottom
Merged
JonathonMisiewicz merged 2 commits into from
Mar 28, 2025
Merged

Close issue #3274 #3279

JonathonMisiewicz merged 2 commits into from
Mar 28, 2025
+87 −80

Conversation

@JonathonMisiewicz
Copy link
Contributor

@JonathonMisiewicz JonathonMisiewicz commented Mar 26, 2025

Dev notes & details

  • Documented several functions in DPD
  • Changed trivial return types in DPD
  • Closing a PSIO file now writes its cache'd file4 entries to disk. This closes Fatal Error: PSIO_ERROR: 21 (File not opened) #3274
  • Cache file4 deletion is separated from the preparatory work and written to its own function

Checklist

  • The test case in 3274 proceeds further than it was able to before.

Status

  • Ready for review
  • Ready for merge

@JonathonMisiewicz JonathonMisiewicz mentioned this pull request Mar 27, 2025
Closed
loriab
loriab approved these changes Mar 28, 2025
View reviewed changes
Copy link
Member

@loriab loriab left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

wow, that bug was deep in the dpd cache manipulation

psi4/src/psi4/libdpd/file4_cache.cc

if ((this_entry == nullptr && File->incore) || (this_entry != nullptr && !File->incore) ||
(this_entry == nullptr && !File->incore))
if (this_entry == nullptr || !(File->incore))
Copy link
Member

@loriab loriab Mar 28, 2025

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

nice simplification

@loriab loriab added this to the Psi4 1.10 milestone Mar 28, 2025
@JonathonMisiewicz JonathonMisiewicz added this pull request to the merge queue Mar 28, 2025
@JonathonMisiewicz
Copy link
Contributor Author

JonathonMisiewicz commented Mar 28, 2025

wow, that bug was deep in the dpd cache manipulation

Once you have a traceback and documentation on what the function calls are doing, it's straightforward to understand the problem. Hence why this PR includes so many function docstrings.

Merged via the queue into psi4:master with commit 4c07f4f Mar 28, 2025
6 checks passed
@JonathonMisiewicz JonathonMisiewicz deleted the cache_clean branch March 31, 2025 12:55
@loriab loriab mentioned this pull request Jan 8, 2025
Closed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Reviewers

@loriab loriab loriab approved these changes

@lothian lothian lothian approved these changes

Assignees

No one assigned

Labels

None yet

Projects

None yet

Milestone

Psi4 1.10

Development

Successfully merging this pull request may close these issues.

Fatal Error: PSIO_ERROR: 21 (File not opened)

3 participants

@JonathonMisiewicz @loriab @lothian