libint
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excessive library size
- [ ] need to refine unrolling rules for derivative targets (clearly, angular momentum alone without # of targets is not enough)
- [ ] need to add missing generic implementations
example: library configured with
'--enable-eri=2' '--enable-1body=2' --with-max-am=5 --with-opt-am=3 --disable-unrolling --enable-generic-code '--enable-fma'
is ~2.8 GB, with ~1.1 GB taken by multipole compute relation:
[Eduards-MacBook-Pro:libint/tmp/libint] evaleev% find . -name "CR_*CartesianMultipole*" -ls | awk '{total += $7} END {print total}'
1079450685
and 1.2 GB taken by deriv gaussian compute relation:
[Eduards-MacBook-Pro:libint/tmp/libint] evaleev% find . -name "CR_DerivGauss*" -ls | awk '{total += $7} END {print total}'
1181971078