Pre-allocate workspace buffers as class members to remove ~8M malloc/free
pairs per Newton iteration from LineRelax, ThomasAlgorithm, JFD_times_dv,
J_times_dv, chebft_Zeros, fourft, Derivatives_AB3, and F_of_v.
Rewrite ThomasAlgorithm to operate in-place on input arrays.
Results are bit-identical; no algorithmic changes.
Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
This commit transitions the verification approach from post-Newtonian theory
comparison to regression testing against baseline simulations, and optimizes
critical numerical kernels using Intel oneMKL BLAS routines.
Verification Changes:
- Replace PN theory-based RMS calculation with trajectory-based comparison
- Compare optimized results against baseline (GW150914-origin) on XY plane
- Compute RMS independently for BH1 and BH2, report maximum as final metric
- Update documentation to reflect new regression test methodology
Performance Optimizations:
- Replace manual vector operations with oneMKL BLAS routines:
* norm2() and scalarproduct() now use cblas_dnrm2/cblas_ddot (C++)
* L2 norm calculations use DDOT for dot products (Fortran)
* Interpolation weighted sums use DDOT (Fortran)
- Disable OpenMP threading (switch to sequential MKL) for better performance
Build Configuration:
- Switch from lmkl_intel_thread to lmkl_sequential
- Remove -qopenmp flags from compiler options
- Maintain aggressive optimization flags (-O3, -xHost, -fp-model fast=2, -fma)
Other Changes:
- Update .gitignore for GW150914-origin, docs, and temporary files
