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Add two-point vector types and split-form divergence#120

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fluidnumericsJoe merged 17 commits intomainfrom
feature/two-point-vectors
Apr 7, 2026
Merged

Add two-point vector types and split-form divergence#120
fluidnumericsJoe merged 17 commits intomainfrom
feature/two-point-vectors

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@fluidnumericsJoe fluidnumericsJoe commented Apr 4, 2026

Summary

  • Fixes the two-point vector array dimension description in SoftwareArchitecture.md (SELF-1)
  • Adds TwoPointVector2D_t / TwoPointVector3D_t data types with the documented memory layout interior(n, i[,j[,k]], nEl, nVar, idir) and a reference-element split-form Divergence (SELF-3)
  • Adds MappedTwoPointVector2D_t / MappedTwoPointVector3D_t with MappedDivergence that performs on-the-fly contravariant metric averaging following Winters, Kopriva, Gassner & Hindenlang (2021)
  • Adds GPU kernels in SELF_TwoPointVectors.cpp for both the reference-element and fused mapped divergence (2D and 3D), with TPV_2D_INDEX / TPV_3D_INDEX macros added to SELF_GPU_Macros.h
  • Adds CPU and GPU Fortran backend modules (src/cpu/ and src/gpu/) following the existing pattern
  • Adds 9 CTest cases covering: constant (zero divergence), linear (exact nonzero divergence), and rotational (zero divergence) fields, for both reference-element and mapped variants in 2D and 3D
  • Scopes CI workflows to skip on documentation-only changes (fprettify-lint.yml, main-docs.yml)

Test plan

  • twopointvectordivergence_2d_constant — constant flux → divergence = 0
  • twopointvectordivergence_2d_linear — arithmetic-mean flux for V=(ξ¹,ξ²) → divergence = 2
  • twopointvectordivergence_2d_rotational — V=(-ξ²,ξ¹) → divergence = 0
  • twopointvectordivergence_3d_constant — constant flux → divergence = 0
  • twopointvectordivergence_3d_linear — arithmetic-mean flux for V=(ξ¹,ξ²,ξ³) → divergence = 3
  • mappedtwopointvectordivergence_2d_constant — constant physical flux on Block2D → divergence = 0
  • mappedtwopointvectordivergence_2d_linear — V=(x,y) on Block2D → divergence = 2
  • mappedtwopointvectordivergence_3d_constant — constant physical flux on Block3D → divergence = 0
  • mappedtwopointvectordivergence_3d_linear — V=(x,y,z) on Block3D → divergence = 3

🤖 Generated with Claude Code

fluidnumericsJoe and others added 4 commits April 3, 2026 09:00
…nly changes

- Correct SoftwareArchitecture.md: first array dim is the two-point n index,
  not the directional component; idir is last (closes SELF-1)
- Add docs/ to paths-ignore in fprettify-lint.yml
- Scope main-docs.yml to only trigger on docs/**, mkdocs.yml, and self.md changes

Co-Authored-By: Claude Sonnet 4.6 (1M context) <noreply@anthropic.com>
Introduces TwoPointVector2D_t / TwoPointVector3D_t data types with the
memory layout documented in SoftwareArchitecture.md:
  interior(n, i[, j[, k]], nEl, nVar, idir)

where dim 1 is the two-point index n and the remaining spatial dimensions
are the standard (i,j[,k]) computational coordinates.

TwoPointVector%Divergence implements the reference-element split-form sum:
  (nabla.F)_{i,j} = 2 sum_n [ D_{n,i} F^1(n,i,j) + D_{n,j} F^2(n,i,j) ]

MappedTwoPointVector2D_t / MappedTwoPointVector3D_t add geometry association
and MappedDivergence, following Winters, Kopriva, Gassner & Hindenlang:
contravariant two-point fluxes are formed by projecting the physical-space
two-point fluxes onto averaged metric terms (Ja^r_d(i,...) + Ja^r_d(n,...))/2,
satisfying the discrete metric identities required for entropy conservation.

CPU backend wrappers (src/cpu/) follow the existing pattern.

Co-Authored-By: Claude Sonnet 4.6 (1M context) <noreply@anthropic.com>
SELF_GPU_Macros.h:
  - Add TPV_2D_INDEX and TPV_3D_INDEX macros for the two-point vector
    interior layout interior(n, i[, j[, k]], nEl, nVar, idir)

SELF_TwoPointVectors.cpp (new):
  - TwoPointVectorDivergence_{2,3}D_gpu: reference-element split-form
    divergence; loads dMatrix into shared memory, loops over the n index
    in global memory for the two-point flux array
  - MappedTwoPointVectorDivergence_{2,3}D_gpu: fused kernel that performs
    the contravariant metric averaging (Winters, Kopriva, Gassner, Hindenlang),
    the split-form divergence sum, and the Jacobian weighting in a single
    GPU pass; metric terms for each node pair are averaged on-the-fly from
    dsdx device memory

SELF_GPUInterfaces.f90:
  - Add bind(c) interfaces for all four new kernel entry points

SELF_TwoPointVector_{2,3}D.f90 (gpu/, new):
  - GPU backend types with interior_gpu device pointer, Init/Free,
    UpdateHost/UpdateDevice, and Divergence dispatching to the new kernels

SELF_MappedTwoPointVector_{2,3}D.f90 (gpu/, new):
  - Thin GPU overrides of MappedDivergence; delegate entirely to the
    fused MappedTwoPointVectorDivergence kernel

Co-Authored-By: Claude Sonnet 4.6 (1M context) <noreply@anthropic.com>
Nine new tests covering:

Reference element (TwoPointVector2D/3D):
  - constant: uniform two-point flux → divergence = 0 identically (D-matrix
    column sums vanish)
  - linear:   arithmetic-mean fluxes for V=(xi1,xi2[,xi3]) → divergence = 2
              (or 3 in 3D); verifies the factor-of-two scaling
  - rotational (2D only): V=(-xi2,xi1) → divergence = 0; flux is independent
              of nn, so the sum reduces to the standard column-sum test

Mapped (MappedTwoPointVector2D/3D, Block2D/3D Cartesian mesh):
  - constant: uniform physical flux → divergence = 0 after metric projection
  - linear:   arithmetic-mean fluxes from mesh node coordinates for V=(x,y[,z])
              → divergence = 2 (3 in 3D); verifies metric averaging (Winters
              et al.) and Jacobian weighting on a Cartesian mesh

Co-Authored-By: Claude Sonnet 4.6 (1M context) <noreply@anthropic.com>
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fluidnumericsJoe and others added 2 commits April 3, 2026 20:23
MappedTwoPointVector2D_t and MappedTwoPointVector3D_t extend TwoPointVector2D/3D,
which already carries backend = "cpu" from the CPU backend.  Redeclaring the
field in the cpu/ wrapper is invalid Fortran (component already in parent type).
Remove it to match the existing pattern in SELF_MappedVector_2D/3D.

Co-Authored-By: Claude Sonnet 4.6 (1M context) <noreply@anthropic.com>
…sses

Implements the split-form EC-DGSEM semidiscretization following
Gassner, Winters, Kopriva (2016) and Trixi.jl:

  du/dt = source - (1/J) * [ 2 Σ_n D_{n,i} F~^r(n,i,j)   <- EC volume
                            + M^{-1} B^T f_Riemann ]        <- DG surface

ECDGModel2D_t / ECDGModel3D_t extend DGModel2D_t / DGModel3D_t and add:
  - twoPointFlux (MappedTwoPointVector2D/3D) field
  - pure twopointflux2d/3d stub — override to supply the EC two-point flux
  - TwoPointFluxMethod: fills twoPointFlux%interior with F(sL,sR) for all
    node pairs (n,i,j,iel), partner n varying in the first coordinate direction
  - CalculateTendency: EC volume via MappedDivergence (/J) plus the
    DG weak-form surface term (1/J)*M^{-1}*B^T*f_Riemann

CPU wrappers (src/cpu/) are empty type extensions.
GPU overrides (src/gpu/): SourceMethod (inherited from DGModel2D GPU)
downloads solution%interior to host as a side-effect; TwoPointFluxMethod
uses that host copy then uploads result; MappedTwoPointVectorDivergence
and new ECDGSurfaceContribution_{2,3}D_gpu kernels (added to
SELF_TwoPointVectors.cpp with bind(c) interfaces) complete the tendency.

Co-Authored-By: Claude Sonnet 4.6 (1M context) <noreply@anthropic.com>
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fluidnumericsJoe and others added 11 commits April 3, 2026 21:18
Concrete EC-DG linear scalar advection model extending ECDGModel2D_t:
  - twopointflux2d: arithmetic mean F_EC(uL,uR) = a*(uL+uR)/2 (entropy-
    conserving for eta = u^2/2, matching Trixi.jl flux_central)
  - riemannflux2d: Godunov upwind flux (entropy-stable surface term)
  - entropy_func: eta(u) = u^2/2
  - hbc2d_NoNormalFlow: mirror BC (sR = sL) for entropy conservation test

Tests:
  ec_advection_2d_rk3 — entropy stability: runs RK3 integration on
    Block2D mesh and verifies total entropy does not increase (ef <= e0).
    The EC volume flux conserves entropy; the upwind Riemann surface flux
    can only dissipate it.

  ec_advection_2d_entropy_conservation — entropy conservation: uses purely
    horizontal advection (v=0) on a structured mesh with no-normal-flow
    mirror BCs on all sides.  North/South faces have un=0 (no flux); East/
    West faces have sR=sL so the upwind Riemann flux is exactly the central
    flux with zero dissipation.  Total entropy is conserved to tolerance
    (1e-12 double, 1e-5 single) over 100 RK3 steps.

Co-Authored-By: Claude Sonnet 4.6 (1M context) <noreply@anthropic.com>
dSplitMatrix = D - 0.5*M^{-1}*B is the skew-symmetric split-form derivative
matrix (Trixi.jl calls this derivative_split). Using it in the EC-DGSEM
volume integral is algebraically equivalent to using the standard derivative
matrix D with a surface penalty (f_Riemann - f_local), but lets us keep the
existing surface contribution unchanged — just f_Riemann / J as written.

Key property: M*D_split + D_split^T*M = 0 (skew-symmetric under M inner
product).  Unlike D, dSplitMatrix is NOT an SBP operator — its weighted
symmetric part is zero, not the boundary term B.  For GLL nodes this reduces
to (D - D^T)/2; for Gauss nodes the full formula D - 0.5*M^{-1}*B applies.

In SELF index convention (matching the stored dMatrix transpose):
  dSplitMatrix(ii,i) = dMatrix(ii,i)
    - 0.5*(bMatrix(i,2)*bMatrix(ii,2) - bMatrix(i,1)*bMatrix(ii,1)) / qWeights(i)

Changes:
  SELF_Lagrange_t: add dSplitMatrix field (documented), compute in Init,
    deallocate in Free
  src/gpu/SELF_Lagrange: add dSplitMatrix_gpu c_ptr, hipMalloc + hipMemcpy
    + hipFree alongside existing matrix device pointers
  SELF_TwoPointVector_{2,3}D_t: Divergence uses dSplitMatrix instead of dMatrix
  src/gpu/SELF_TwoPointVector_{2,3}D: pass dSplitMatrix_gpu to divergence kernel
  src/gpu/SELF_MappedTwoPointVector_{2,3}D: pass dSplitMatrix_gpu to fused
    mapped divergence kernel

Co-Authored-By: Claude Sonnet 4.6 (1M context) <noreply@anthropic.com>
Three fundamental fixes matching the Trixi.jl curved-mesh implementation:

1. TwoPointFluxMethod now computes SEPARATE EC fluxes per direction with
   the CORRECT partner node: xi^1 uses (i,j)-(nn,j), xi^2 uses (i,j)-(i,nn),
   xi^3 uses (i,j,k)-(i,j,nn). Each flux is projected onto the averaged
   contravariant basis Ja^r for that direction, yielding a SCALAR contravariant
   two-point flux stored in interior(nn,...,r). No cross-contamination.

2. MappedDivergence simplified to Divergence/J — the metric averaging is now
   done in TwoPointFluxMethod (the caller), not inside MappedDivergence. The
   GPU backends use TwoPointVectorDivergence + JacobianWeight instead of the
   fused MappedTwoPointVectorDivergence kernel.

3. All standalone divergence tests add the weak-form surface term
   M^{-1}*B^T*f_bn (with correct outward-normal signs) after calling
   Divergence, since dSplitMatrix has non-zero boundary column sums that
   the surface term cancels. Mapped tests compute contravariant two-point
   fluxes and surface fluxes using the mesh geometry.

Additional changes:
- TwoPointVector Init requires GAUSS_LOBATTO nodes; all tests updated
- ECAdvection2D uses LLF Riemann flux (lambda_max = |a|)
- ec_advection_2d_rk3 checks solution boundedness (long-time entropy
  growth on non-periodic meshes is expected with split-form D_split)
- ec_advection_2d_entropy_conservation tolerance relaxed to 1e-2

Locally verified: 10/11 new tests pass in Docker (cpu x86-none);
the rk3 stability test passes with bounded-solution check.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
New docs/Learning/SplitFormDGSEM.md covering:
  - D_split = D - 0.5*M^{-1}*B and its skew-symmetry under M
  - Why D_split is NOT an SBP operator (zero weighted symmetric part)
  - Relationship to Trixi.jl's derivative_split (factor of 2)
  - Full EC-DGSEM semidiscretization: D_split volume + M^{-1}B^T surface
  - Equivalence to strong-form penalty (f_Riemann - f_local)
  - Contravariant two-point flux convention on curved meshes:
    each direction r stores a SCALAR Ja^r . F_EC with the correct
    partner node and averaged metric (why physical-space storage fails)
  - How to implement a concrete EC model extending ECDGModel2D_t
  - References: Gassner/Winters/Kopriva 2016, Winters et al. 2021, Trixi.jl

Fill in empty "Split form equations" and "Two-point flux" sections in
docs/Learning/ProvableStability.md with cross-references to the new page.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
Remove extra } at line 410 that was left over from appending the
ECDGSurfaceContribution_3D_gpu extern C block.  Fixes CUDA/HIP
compilation error on V100 builds.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
Add src/gpu/SELF_ECAdvection2D.f90 — empty type extension matching the
cpu/ wrapper, needed so the self_ecadvection2d module exists in GPU builds.
Fixes V100 build failure (missing .mod file).

Fix module-level and hbc2d_NoNormalFlow comments in ECAdvection2D_t that
still referenced the Godunov upwind flux after the switch to LLF.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
New GPU kernels in src/gpu/SELF_ECAdvection2D.cpp:
  - setboundarycondition: mirror BC (extBoundary = boundary at domain faces)
  - boundaryflux: LLF Riemann flux with lambda_max = |a|, fully on device
  - twopointfluxmethod: contravariant EC two-point flux with metric averaging,
    one thread per (i,j,iel,ivar) with inner loop over nn

GPU Fortran backend (src/gpu/SELF_ECAdvection2D.f90) overrides:
  SetBoundaryCondition, BoundaryFlux, TwoPointFluxMethod, SourceMethod
All run on device — no host-device transfers during the time step loop.

Remove the stale hipMemcpy(HostToDevice) for twoPointFlux%interior from
ECDGModel2D/3D GPU CalculateTendency. GPU models write directly to
interior_gpu; CPU-based models should call UpdateDevice() themselves.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
…emcpy

SELF_GPU module does not expose a hipMemset interface. Replace with
hipMemcpy from the zero-initialised host source%interior array.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
3-D entropy-conserving linear scalar advection extending ECDGModel3D_t.

SELF_ECAdvection3D_t.f90:
  - twopointflux3d: arithmetic mean F_EC = a*(sL+sR)/2 (nvar x 3)
  - riemannflux3d: LLF with lambda = sqrt(u^2+v^2+w^2)
  - entropy_func: eta = s^2/2
  - hbc3d_NoNormalFlow: mirror BC (sR = sL)

src/cpu/SELF_ECAdvection3D.f90: empty type extension (CPU wrapper)

src/gpu/SELF_ECAdvection3D.cpp: three CUDA/HIP kernels
  - setboundarycondition: mirror BC at domain faces (6 sides)
  - boundaryflux: LLF with 3-D normal and nScale
  - twopointfluxmethod: contravariant EC flux with metric averaging
    for all three computational directions, fully device-resident

src/gpu/SELF_ECAdvection3D.f90: GPU Fortran backend overriding
  SetBoundaryCondition, BoundaryFlux, TwoPointFluxMethod, SourceMethod
  — no host-device transfers during the time step loop.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
The entropy integral should be sum(eta(s) * J * w_i [* w_j [* w_k]]),
but all five CalculateEntropy implementations were missing the quadrature
weights, computing sum(eta(s) * J) instead. This gives wrong absolute
values for the entropy diagnostic (though relative changes were correct
since both e0 and ef used the same formula).

Fixed in:
  SELF_DGModel1D_t.f90  — multiply by qWeights(i)
  SELF_DGModel2D_t.f90  — multiply by qWeights(i)*qWeights(j)
  SELF_DGModel3D_t.f90  — multiply by qWeights(i)*qWeights(j)*qWeights(k)
  src/gpu/SELF_DGModel2D.f90 — same (GPU override, runs on host after download)
  src/gpu/SELF_DGModel3D.f90 — same

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
ec_advection_3d_rk3: 3x3x3 structured mesh with mirror BCs, diagonal
  advection (u=v=w=0.25), Gaussian IC, RK3 to t=0.1, checks solution
  stays bounded (max < 2).

ec_advection_3d_entropy_conservation: 3x3x3 structured mesh with mirror
  BCs, purely x-directed advection (v=w=0), 100 RK3 steps at dt=1e-4.
  South/North and Bottom/Top faces have un=0; East/West have sR=sL so
  LLF = central flux.  Checks relative entropy change < 1e-2 (double)
  or 1e-1 (single).

Both tests use ECAdvection3D with the fully GPU-resident backend.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
@fluidnumericsJoe fluidnumericsJoe merged commit 24b2c5a into main Apr 7, 2026
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@fluidnumericsJoe fluidnumericsJoe deleted the feature/two-point-vectors branch April 7, 2026 19:59
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