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@dschwoerer dschwoerer commented Nov 6, 2025

Here a summary of the changes:

Field3DParallel

A Field3DParallel is essentially a Field3D, that preserves the parallel slices.
This allows to avoid unnecessary computation of of parallel fields, that are not needed.
It also ensures parallel slices are present (for FCI) when later parallel derivatives are computed.
So any function that will call DDY later on, can change the signature to Field3DParallel to declare that parallel slices need to be present for FCI.

New Y-Boundary Operators

Custom sheath boundary conditions can now be implemented using an abstraction. The documentation is on RTD
That allows having one code path for FCI and FA, for upper and lower sheath BC, all in one place.

Various small fixups

loadParallelMetrics

For FCI the parallel slices of the metric components are loaded, as they are sometimes needed.
This makes FCI essentially 3D only.
There is now also the option to say a field is not allow to compute the parallel slices, to avoid overwriting them: allowCalcParallelSlices.

Tracking on failure

Only if the simulation fails to evolve (Currently euler and pvode only):
The different components of timederivate are dumped to a BOUT.debug.*.nc which can be handy for figuring out which term is causing the instability. No more having to re-run the simulation with some terms disabled to debug such issues. This causes (an unkown) memory overhead - but ONLY if the solver has failed already.

More names of parallel boundary region + cleanup of code

Support things like bndry_par_xin or bndry_par_yup.

Add monotonichermitespline for all cases

Merged into hermitespline and works also in parallel.

Support several parallel slices for FCI

MYG=2 is now supported.

bendudson and others added 30 commits November 21, 2024 15:14
Without this fix, boundary conditions set on yup/down fields are not
applied when a boundary is copied from one field to another.
Fix Field3D::setBoundaryTo for FCI methods
Only used in `Coordinates`, so make private implementation detail
Allows throwing more specific error in coordinates
This works for 2D and 3D fields (and is also shorter code)
I sometimes have `[mesh:file]` set in the input file, and specify `grid` on
the command line, only to be confused why the wrong grid was picked.
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clang-tidy made some suggestions

There were too many comments to post at once. Showing the first 25 out of 373. Check the log or trigger a new build to see more.

void limit_at_least(Field3D& f, BoutReal value) const {
if (ynext(f) < value) {
ynext(f) = value;
}
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warning: use std::max instead of < [readability-use-std-min-max]

include/bout/boundary_iterator.hxx:2:

- #include "bout/mesh.hxx"
+ #include <algorithm>
+ 
+ #include "bout/mesh.hxx"
Suggested change
}
ynext(f) = std::max(ynext(f), value);

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clang-tidy made some suggestions

There were too many comments to post at once. Showing the first 25 out of 353. Check the log or trigger a new build to see more.

#include "bout/sys/range.hxx"

#include <algorithm>
#include <functional>
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warning: included header algorithm is not used directly [misc-include-cleaner]

Suggested change
#include <functional>
#include <functional>

#include <algorithm>
#include <functional>

class BoundaryRegionIter {
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warning: destructor of 'BoundaryRegionIter' is public and non-virtual [cppcoreguidelines-virtual-class-destructor]

class BoundaryRegionIter {
      ^
Additional context

include/bout/boundary_iterator.hxx:13: make it public and virtual

class BoundaryRegionIter {
      ^

virtual void _next() = 0;
BoundaryRegionIter& operator*() { return *this; }

void dirichlet_o2(Field3D& f, BoutReal value) const {
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warning: no header providing "Field3D" is directly included [misc-include-cleaner]

include/bout/boundary_iterator.hxx:4:

- #include "bout/mesh.hxx"
+ #include "bout/field3d.hxx"
+ #include "bout/mesh.hxx"

}

void limit_at_least(Field3D& f, BoutReal value) const {
if (ynext(f) < value) {
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warning: use std::max instead of < [readability-use-std-min-max]

Suggested change
if (ynext(f) < value) {
ynext(f) = std::max(ynext(f), value);

}
}

static int abs_offset() { return 1; }
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warning: no header providing "BOUT_USE_METRIC_3D" is directly included [misc-include-cleaner]

include/bout/boundary_iterator.hxx:4:

- #include "bout/mesh.hxx"
+ #include "bout/build_defines.hxx"
+ #include "bout/mesh.hxx"

RangeIterator r;
bool is_end;
};

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warning: the parameter 'r' is copied for each invocation but only used as a const reference; consider making it a const reference [performance-unnecessary-value-param]

Suggested change
NewBoundaryRegionY(Mesh* mesh, bool lower, const RangeIterator& r)

bool is_end;
};

class NewBoundaryRegionY {
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warning: no header providing "std::move" is directly included [misc-include-cleaner]

include/bout/boundary_iterator.hxx:12:

+ #include <utility>

bool is_end;
};

class NewBoundaryRegionY {
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warning: passing result of std::move() as a const reference argument; no move will actually happen [performance-move-const-arg]

Suggested change
class NewBoundaryRegionY {
: mesh(mesh), lower(lower), r(r) {}
Additional context

include/bout/sys/range.hxx:26: 'RangeIterator' is not move assignable/constructible

class RangeIterator {
      ^


#include "bout/mesh.hxx"
#include "bout/region.hxx"
#include "bout/sys/parallel_stencils.hxx"
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warning: included header region.hxx is not used directly [misc-include-cleaner]

Suggested change
#include "bout/sys/parallel_stencils.hxx"
#include "bout/sys/parallel_stencils.hxx"

#include "bout/mesh.hxx"
#include "bout/region.hxx"
#include "bout/sys/parallel_stencils.hxx"
#include <string>
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warning: included header parallel_stencils.hxx is not used directly [misc-include-cleaner]

Suggested change
#include <string>
#include <string>

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clang-tidy made some suggestions

There were too many comments to post at once. Showing the first 25 out of 331. Check the log or trigger a new build to see more.

void limit_at_least(Field3D& f, BoutReal value) const {
if (ynext(f) < value) {
ynext(f) = value;
}
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warning: use std::max instead of < [readability-use-std-min-max]

Suggested change
}
ynext(f) = std::max(ynext(f), value);


static int abs_offset() { return 1; }

#if BOUT_USE_METRIC_3D == 0
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warning: no header providing "BOUT_USE_METRIC_3D" is directly included [misc-include-cleaner]

include/bout/boundary_iterator.hxx:4:

- #include "bout/mesh.hxx"
+ #include "bout/build_defines.hxx"
+ #include "bout/mesh.hxx"

static int abs_offset() { return 1; }

#if BOUT_USE_METRIC_3D == 0
BoutReal& ynext(Field2D& f) const { return f[ind().yp(by).xp(bx)]; }
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warning: no header providing "Field2D" is directly included [misc-include-cleaner]

include/bout/boundary_iterator.hxx:4:

- #include "bout/mesh.hxx"
+ #include "bout/field2d.hxx"
+ #include "bout/mesh.hxx"

const BoutReal& yprev(const Field2D& f) const { return f[ind().yp(-by).xp(-bx)]; }
#endif

const int dir;
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warning: member 'dir' of type 'const int' is const qualified [cppcoreguidelines-avoid-const-or-ref-data-members]

  const int dir;
            ^

const BoutReal& yprev(const Field2D& f) const { return f[ind().yp(-by).xp(-bx)]; }
#endif

const int dir;
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warning: member variable 'dir' has public visibility [cppcoreguidelines-non-private-member-variables-in-classes]

  const int dir;
            ^


template <typename T>
auto& getStore() {
if constexpr (std::is_same<T, Field3DParallel>::value) {
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warning: no header providing "Field3DParallel" is directly included [misc-include-cleaner]

include/bout/deriv_store.hxx:36:

- #include <bout/scorepwrapper.hxx>
+ #include "bout/field3d.hxx"
+ #include <bout/scorepwrapper.hxx>


template <typename T>
auto& getStore() {
if constexpr (std::is_same<T, Field3DParallel>::value) {
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warning: no header providing "std::is_same" is directly included [misc-include-cleaner]

include/bout/deriv_store.hxx:34:

- #include <unordered_map>
+ #include <type_traits>
+ #include <unordered_map>

template <typename T>
auto& getStore() {
if constexpr (std::is_same<T, Field3DParallel>::value) {
return DerivativeStore<Field3D>::getInstance();
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warning: no header providing "Field3D" is directly included [misc-include-cleaner]

    return DerivativeStore<Field3D>::getInstance();
                           ^

swap(first.directions, second.directions);
}

virtual void setRegion(size_t UNUSED(regionID)) {}
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warning: no header providing "UNUSED" is directly included [misc-include-cleaner]

include/bout/field.hxx:26:

- class Field;
+ #include "bout/unused.hxx"
+ class Field;

template <typename T>
inline T toFieldAligned(const T& f, const std::string& region = "RGN_ALL") {
static_assert(bout::utils::is_Field_v<T>, "toFieldAligned only works on Fields");
ASSERT3(f.getCoordinates() != nullptr);
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warning: no header providing "ASSERT3" is directly included [misc-include-cleaner]

  ASSERT3(f.getCoordinates() != nullptr);
  ^

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clang-tidy made some suggestions

There were too many comments to post at once. Showing the first 25 out of 219. Check the log or trigger a new build to see more.

******************************************************************/

#define PVODE_BAND_ELEM(A,i,j) ((A->data)[j][i-j+(A->smu)])
#define PVODE_BAND_ELEM(A, i, j) (((A)->data)[j][(i) - (j) + ((A)->smu)])
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warning: function-like macro 'PVODE_BAND_ELEM' used; consider a 'constexpr' template function [cppcoreguidelines-macro-usage]

#define PVODE_BAND_ELEM(A, i, j) (((A)->data)[j][(i) - (j) + ((A)->smu)])
        ^

******************************************************************/

#define PVODE_BAND_COL(A,j) (((A->data)[j])+(A->smu))
#define PVODE_BAND_COL(A, j) ((((A)->data)[j]) + ((A)->smu))
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warning: function-like macro 'PVODE_BAND_COL' used; consider a 'constexpr' template function [cppcoreguidelines-macro-usage]

#define PVODE_BAND_COL(A, j) ((((A)->data)[j]) + ((A)->smu))
        ^

******************************************************************/

#define BAND_COL(A, j) (((A->data)[j]) + (A->smu))
#define PVODE_BAND_COL(A, j) ((((A)->data)[j]) + ((A)->smu))
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warning: function-like macro 'PVODE_BAND_COL' used; consider a 'constexpr' template function [cppcoreguidelines-macro-usage]

#define PVODE_BAND_COL(A, j) ((((A)->data)[j]) + ((A)->smu))
        ^

#include <algorithm>
#include <functional>

class BoundaryRegionIter {
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warning: class 'BoundaryRegionIter' defines a default destructor but does not define a copy constructor, a copy assignment operator, a move constructor or a move assignment operator [cppcoreguidelines-special-member-functions]

class BoundaryRegionIter {
      ^

inline T toFieldAligned(const T& f, const std::string& region = "RGN_ALL") {
static_assert(bout::utils::is_Field_v<T>, "toFieldAligned only works on Fields");
ASSERT3(f.getCoordinates() != nullptr);
return f.getCoordinates()->getParallelTransform().toFieldAligned(f, region);
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warning: member access into incomplete type 'Coordinates' [clang-diagnostic-error]

  return f.getCoordinates()->getParallelTransform().toFieldAligned(f, region);
                           ^
Additional context

include/bout/index_derivs_interface.hxx:218: in instantiation of function template specialization 'toFieldAligned' requested here

    const T f_aligned = is_unaligned ? toFieldAligned(f, "RGN_NOX") : f;
                                       ^

include/bout/index_derivs_interface.hxx:227: in instantiation of function template specialization 'bout::derivatives::index::DDY' requested here

  return DDY(f.asField3D(), outloc, method, region);
         ^

include/bout/field_data.hxx:42: forward declaration of 'Coordinates'

class Coordinates;
      ^


int tracking_state{0};
Options* tracking{nullptr};
std::string selfname;
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warning: member variable 'selfname' has protected visibility [cppcoreguidelines-non-private-member-variables-in-classes]

  std::string selfname;
              ^

explicit Field3DParallel(Types... args) : Field3D(std::move(args)...) {
ensureFieldAligned();
}
Field3DParallel(const Field3D& f) : Field3D(std::move(f)) { ensureFieldAligned(); }
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warning: std::move of the const variable 'f' has no effect; remove std::move() or make the variable non-const [performance-move-const-arg]

Suggested change
Field3DParallel(const Field3D& f) : Field3D(std::move(f)) { ensureFieldAligned(); }
Field3DParallel(const Field3D& f) : Field3D(f) { ensureFieldAligned(); }

ensureFieldAligned();
}
Field3DParallel(const Field3D& f) : Field3D(std::move(f)) { ensureFieldAligned(); }
Field3DParallel(const Field2D& f) : Field3D(std::move(f)) { ensureFieldAligned(); }
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warning: std::move of the const variable 'f' has no effect; remove std::move() or make the variable non-const [performance-move-const-arg]

Suggested change
Field3DParallel(const Field2D& f) : Field3D(std::move(f)) { ensureFieldAligned(); }
Field3DParallel(const Field2D& f) : Field3D(f) { ensureFieldAligned(); }

};

Field3DParallel Field3D::asField3DParallel() { return Field3DParallel(*this); }
const Field3DParallel Field3D::asField3DParallel() const {
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warning: return type 'const Field3DParallel' is 'const'-qualified at the top level, which may reduce code readability without improving const correctness [readability-const-return-type]

include/bout/field3d.hxx:533:

-   inline const Field3DParallel asField3DParallel() const;
+   inline Field3DParallel asField3DParallel() const;
Suggested change
const Field3DParallel Field3D::asField3DParallel() const {
Field3DParallel Field3D::asField3DParallel() const {


inline Field3DParallel
filledFrom(const Field3DParallel& f,
std::function<BoutReal(int yoffset, Ind3D index)> func) {
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warning: the parameter 'func' is copied for each invocation but only used as a const reference; consider making it a const reference [performance-unnecessary-value-param]

Suggested change
std::function<BoutReal(int yoffset, Ind3D index)> func) {
const std::function<BoutReal(int yoffset, Ind3D index)>& func) {

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clang-tidy made some suggestions

There were too many comments to post at once. Showing the first 25 out of 219. Check the log or trigger a new build to see more.

******************************************************************/

#define PVODE_BAND_ELEM(A,i,j) ((A->data)[j][i-j+(A->smu)])
#define PVODE_BAND_ELEM(A, i, j) (((A)->data)[j][(i) - (j) + ((A)->smu)])
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warning: function-like macro 'PVODE_BAND_ELEM' used; consider a 'constexpr' template function [cppcoreguidelines-macro-usage]

#define PVODE_BAND_ELEM(A, i, j) (((A)->data)[j][(i) - (j) + ((A)->smu)])
        ^

******************************************************************/

#define PVODE_BAND_COL(A,j) (((A->data)[j])+(A->smu))
#define PVODE_BAND_COL(A, j) ((((A)->data)[j]) + ((A)->smu))
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warning: function-like macro 'PVODE_BAND_COL' used; consider a 'constexpr' template function [cppcoreguidelines-macro-usage]

#define PVODE_BAND_COL(A, j) ((((A)->data)[j]) + ((A)->smu))
        ^

******************************************************************/

#define BAND_COL(A, j) (((A->data)[j]) + (A->smu))
#define PVODE_BAND_COL(A, j) ((((A)->data)[j]) + ((A)->smu))
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warning: function-like macro 'PVODE_BAND_COL' used; consider a 'constexpr' template function [cppcoreguidelines-macro-usage]

#define PVODE_BAND_COL(A, j) ((((A)->data)[j]) + ((A)->smu))
        ^

#include <algorithm>
#include <functional>

class BoundaryRegionIter {
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warning: class 'BoundaryRegionIter' defines a default destructor but does not define a copy constructor, a copy assignment operator, a move constructor or a move assignment operator [cppcoreguidelines-special-member-functions]

class BoundaryRegionIter {
      ^

inline T toFieldAligned(const T& f, const std::string& region = "RGN_ALL") {
static_assert(bout::utils::is_Field_v<T>, "toFieldAligned only works on Fields");
ASSERT3(f.getCoordinates() != nullptr);
return f.getCoordinates()->getParallelTransform().toFieldAligned(f, region);
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warning: member access into incomplete type 'Coordinates' [clang-diagnostic-error]

  return f.getCoordinates()->getParallelTransform().toFieldAligned(f, region);
                           ^
Additional context

include/bout/index_derivs_interface.hxx:218: in instantiation of function template specialization 'toFieldAligned' requested here

    const T f_aligned = is_unaligned ? toFieldAligned(f, "RGN_NOX") : f;
                                       ^

include/bout/index_derivs_interface.hxx:227: in instantiation of function template specialization 'bout::derivatives::index::DDY' requested here

  return DDY(f.asField3D(), outloc, method, region);
         ^

include/bout/field_data.hxx:42: forward declaration of 'Coordinates'

class Coordinates;
      ^


int tracking_state{0};
Options* tracking{nullptr};
std::string selfname;
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warning: member variable 'selfname' has protected visibility [cppcoreguidelines-non-private-member-variables-in-classes]

  std::string selfname;
              ^

explicit Field3DParallel(Types... args) : Field3D(std::move(args)...) {
ensureFieldAligned();
}
Field3DParallel(const Field3D& f) : Field3D(std::move(f)) { ensureFieldAligned(); }
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warning: std::move of the const variable 'f' has no effect; remove std::move() or make the variable non-const [performance-move-const-arg]

Suggested change
Field3DParallel(const Field3D& f) : Field3D(std::move(f)) { ensureFieldAligned(); }
Field3DParallel(const Field3D& f) : Field3D(f) { ensureFieldAligned(); }

ensureFieldAligned();
}
Field3DParallel(const Field3D& f) : Field3D(std::move(f)) { ensureFieldAligned(); }
Field3DParallel(const Field2D& f) : Field3D(std::move(f)) { ensureFieldAligned(); }
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warning: std::move of the const variable 'f' has no effect; remove std::move() or make the variable non-const [performance-move-const-arg]

Suggested change
Field3DParallel(const Field2D& f) : Field3D(std::move(f)) { ensureFieldAligned(); }
Field3DParallel(const Field2D& f) : Field3D(f) { ensureFieldAligned(); }

};

Field3DParallel Field3D::asField3DParallel() { return Field3DParallel(*this); }
const Field3DParallel Field3D::asField3DParallel() const {
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warning: return type 'const Field3DParallel' is 'const'-qualified at the top level, which may reduce code readability without improving const correctness [readability-const-return-type]

include/bout/field3d.hxx:533:

-   inline const Field3DParallel asField3DParallel() const;
+   inline Field3DParallel asField3DParallel() const;
Suggested change
const Field3DParallel Field3D::asField3DParallel() const {
Field3DParallel Field3D::asField3DParallel() const {


inline Field3DParallel
filledFrom(const Field3DParallel& f,
std::function<BoutReal(int yoffset, Ind3D index)> func) {
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warning: the parameter 'func' is copied for each invocation but only used as a const reference; consider making it a const reference [performance-unnecessary-value-param]

Suggested change
std::function<BoutReal(int yoffset, Ind3D index)> func) {
const std::function<BoutReal(int yoffset, Ind3D index)>& func) {

@ZedThree
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Please can you split this into one PR per change? It's 100 files and 5k lines of changes, it's going to be very difficult to review. GitHub will only show a single file at once.

@dschwoerer
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Sure!
Is ready for re-review / merge: #2889
I will keep working on the other bits ...

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