ENH: minimizer performance improvements #424
Merged
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Profiling-guided removal of (relatively) expensive NumPy calls
With a couple ternary benchmark systems, I'm seeing a consistent 2x speedup in the
run_loop
time and almost all the profiled code that drops back into Python (from Cython) is gone.Summary of changes:
np.sum
with manually computed phase composition sums in SystemState initializer and recompute()np.all
call in consolidation check for remove_and_consolidate_phasesnp.take
,np.nonzero
,np.argsort
with loopy equivalents (this is less of a speedup, but we probably just hit this code path less in the benchmark and in practice)The intent was to preserve exactly the current functionality and just be pure performance improvements (any differences detected in review are not intentional).
Benchmarks
ebcfbdb (develop)
b3668f4