Initial SPA1 Implementation for 1D Model #7
+117
−7
Conversation
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Codecov Report❌ Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #7 +/- ##
==========================================
- Coverage 54.72% 54.42% -0.30%
==========================================
Files 42 42
Lines 5957 5995 +38
Branches 800 809 +9
==========================================
+ Hits 3260 3263 +3
- Misses 2348 2381 +33
- Partials 349 351 +2 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
|
Member
|
Huh, interesting, the AIMSWISS test is failing on the debug build with the following stack trace. At line 181 of file SelectionModule.f90
Fortran runtime error: Index '6' of dimension 1 of array 'blockpop' above upper bound of 3
Error termination. Backtrace:
#0 0x7fea74823e59 in ???
#1 0x7fea74824a71 in ???
#2 0x7fea74825082 in ???
#3 0x55fcb49103a5 in perform_stochastic_selection
at /home/runner/work/openfms/openfms/src/modules/SelectionModule.f90:181
#4 0x55fcb4945aa9 in __selectionmodule_MOD_fms_stochasticcollapse
at /home/runner/work/openfms/openfms/src/modules/SelectionModule.f90:111
#5 0x55fcb4a38a73 in fms_dynamics_
at /home/runner/work/openfms/openfms/src/dynamics.f90:81
#6 0x55fcb4766c63 in openfms
at /home/runner/work/openfms/openfms/src/openfms.F90:137
#7 0x55fcb4766d07 in main
at /home/runner/work/openfms/openfms/src/openfms.F90:12@adamjharrison when you get a chance, can you look at the code and understand how it could be influenced by your changes? EDIT: Don't sweat about it too much, it's likely it's an pre-existing bug that's somehow exposed here? |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Initial implementation of SPA1 interstate and intrastate terms for 1D Model (G. Granucci, M. Persico, G. Spighi, J. Chem. Phys., 2012, 137, 22A501)