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examples: drive VMEC++ from external optimizers (internal basis)#8

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krystophny wants to merge 8 commits into
expose-internal-gradientfrom
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examples: drive VMEC++ from external optimizers (internal basis)#8
krystophny wants to merge 8 commits into
expose-internal-gradientfrom
external-optimizers

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@krystophny krystophny commented Jun 14, 2026

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What

Drive a VMEC++ equilibrium from an external optimizer by treating the raw
internal-basis force F(x) (PR #7) as the residual F(x)=0, and wire it to
general-purpose solvers in examples/external_optimizers.py:

  • preconditioned descent (heavy-ball on VMEC's own preconditioned search
    direction),
  • Jacobian-free Newton-Krylov (scipy newton_krylov).

Force evaluations are counted inside VMEC++ (force_eval_count) for a fair
comparison across methods, including evaluations hidden in Krylov matvecs.

Verification (force evals counted in VMEC++, solovev ns=11)

optimizer                  F-evals  iters  time[s]    ||F||      dW
preconditioned descent        2606   1302    0.16   9.9e-10  5.5e-14
Newton-Krylov (JFNK)          2243      0    0.37   2.0e-09  3.3e-13

Both converge to the native equilibrium energy. Unpreconditioned JFNK needs more
force evaluations than VMEC's preconditioned descent on this stiff system;
exposing VMEC's preconditioner as an operator so the Krylov solver can use it
(PR #9) cuts JFNK to 507 evals.

Stacked on #7 (internal gradient).

Treat the equilibrium as the root problem F(x) = 0, where F is the raw
internal-basis force (gradient of VMEC's augmented functional) exposed by
evaluate(precondition=False). Wire it to two solvers that reuse VMEC++'s
forward model: native-style preconditioned descent and Jacobian-free
Newton-Krylov (matrix-free Hessian information). Both reach the native
solver's equilibrium.

This is the external-differentiability path: VMEC++ as a differentiable
equilibrium component an outside optimizer can drive. Quasi-Newton
root-finders without a preconditioner diverge on this stiff system, which
motivates exposing VMEC's preconditioner as an operator next.

Tests assert both solvers reach force balance and recover the native
energy and state.
Satisfies the docformatter pre-commit hook (was failing CI).
The 'Compare benchmark result' step uses github-action-benchmark with
comment-on-alert and the GITHUB_TOKEN, which is read-only for pull requests from
forks -> 'Resource not accessible by integration'. Gate that step on the PR
coming from the same repo so fork PRs still run the benchmarks but skip the
write-back instead of failing.
The pinned vmec-0.0.6 cp310 wheel was f90wrapped against numpy 1.x. Under
the numpy 2.x that the test env now resolves, importing it dies in the
f90wrap array interface (f90wrap_vmec_input__array__rbc: 0-th dimension
must be fixed to 2 but got 4), so test_ensure_vmec2000_input_from_vmecpp_input
could never actually run on CI (and is currently red on main too, where the
wheel's runtime libs are not even installed).

Build VMEC2000 from upstream source with current f90wrap, which produces
numpy-2-compatible bindings. The recipe mirrors SIMSOPT's own CI
(hiddenSymmetries/VMEC2000, cmake/machines/ubuntu.json). An explicit
'import vmec' check in the install step surfaces any remaining problem here
rather than as a confusing test failure.
With VMEC2000 built from current upstream source, the compatibility test
runs for the first time and hits vmecpp indata fields that have no
counterpart in the legacy VMEC2000 INDATA namelist (e.g.
free_boundary_method), which raised AttributeError. The test explicitly
checks only the common subset, so guard the lookup with hasattr and skip
fields VMEC2000 does not have, instead of enumerating them one by one.
…mit pin

Bring this stack branch up to the corrected CI baseline (from proximafusion#583/proximafusion#564):
- tests.yaml: build VMEC2000 from the pinned source commit and cache the
  wheel; drop the unused FFTW/HDF5 dev packages.
- benchmarks.yaml: skip the result upload on fork PRs (read-only token).
- test_simsopt_compat.py: skip vmecpp-only INDATA fields.
- CMakeLists: pin abseil to the 20260107.1 commit hash for Clang >= 21.
…hmark fork guard (proximafusion#564)

* build: bump CMake abseil pin to 20260107.1 for Clang >= 21

The CMake FetchContent abseil pin (2024-08) fails to compile under
Clang >= 21: absl::Nonnull SFINAE in absl/strings/ascii.cc and the
numbers.cc nullability annotations are rejected by the newer frontend.
Bump to the 20260107.1 LTS, which compiles cleanly under Clang 21.1.8
and GCC. Clang is the compiler required for the Enzyme autodiff build.

The Bazel build keeps its own (BCR) abseil pin and is unaffected.

* ci: skip benchmark result upload on fork PRs (token is read-only)

The 'Compare benchmark result' step uses github-action-benchmark with
comment-on-alert and the GITHUB_TOKEN, which is read-only for pull requests from
forks -> 'Resource not accessible by integration'. Gate that step on the PR
coming from the same repo so fork PRs still run the benchmarks but skip the
write-back instead of failing.

* ci: build VMEC2000 from source so the compat test runs on numpy 2

The pinned vmec-0.0.6 cp310 wheel was f90wrapped against numpy 1.x. Under
the numpy 2.x that the test env now resolves, importing it dies in the
f90wrap array interface (f90wrap_vmec_input__array__rbc: 0-th dimension
must be fixed to 2 but got 4), so test_ensure_vmec2000_input_from_vmecpp_input
could never actually run on CI (and is currently red on main too, where the
wheel's runtime libs are not even installed).

Build VMEC2000 from upstream source with current f90wrap, which produces
numpy-2-compatible bindings. The recipe mirrors SIMSOPT's own CI
(hiddenSymmetries/VMEC2000, cmake/machines/ubuntu.json). An explicit
'import vmec' check in the install step surfaces any remaining problem here
rather than as a confusing test failure.

* test: skip vmecpp-only indata fields in the VMEC2000 compat subset

With VMEC2000 built from current upstream source, the compatibility test
runs for the first time and hits vmecpp indata fields that have no
counterpart in the legacy VMEC2000 INDATA namelist (e.g.
free_boundary_method), which raised AttributeError. The test explicitly
checks only the common subset, so guard the lookup with hasattr and skip
fields VMEC2000 does not have, instead of enumerating them one by one.

* build: pin abseil to the 20260107.1 commit hash

Pin the FetchContent abseil dependency to commit 255c84d (the exact
commit behind the 20260107.1 LTS tag) instead of the tag itself, so a
moved tag cannot change the dependency under us.

* ci: cache and pin the VMEC2000-from-source build

Use the canonical recipe (cache the built wheel keyed on the pinned
source commit 728af8b, drop the unused FFTW/HDF5 dev packages) instead
of rebuilding VMEC2000 unpinned on every run.
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