Closed godotalgorithm closed 2 years ago
Merging #55 (6d07c0b) into main (f230b06) will increase coverage by
0.00%
. The diff coverage is100.00%
.
@@ Coverage Diff @@
## main #55 +/- ##
=======================================
Coverage 68.22% 68.22%
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Files 330 330
Lines 71684 71690 +6
=======================================
+ Hits 48906 48912 +6
Misses 22778 22778
Impacted Files | Coverage Δ | |
---|---|---|
src/run_mopac.F90 | 78.21% <100.00%> (+0.20%) |
:arrow_up: |
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As noted in #37, the THREADS keyword was previously deactivated because it relied on MKL-specific functions, and development of MOPAC has moved to more general support of BLAS & LAPACK libraries. However, all known threaded BLAS/LAPACK libraries are based on OpenMP, so we can again support the THREADS keyword through generic OpenMP API calls. The MKL-specific functionality has been hidden behind the
MKL
preprocessor variable for a while, which we are keeping in until the dense linear algebra refactor happens. There is some redundancy between the newOMP_ENABLED
-filtered code blocks and the deprecatedMKL
-filtered code blocks, but it is practically irrelevant.Status