Compositional equilibration with EQUIL and ZMFVD by GitPaean · Pull Request #7306 · OPM/opm-simulators

GitPaean · 2026-08-10T13:22:23Z

Add hydrostatic compositional initialization from EQUIL and ZMFVD, using RTEMPVD when present and RTEMP otherwise.

Type 1 treats ZMFVD as total composition, integrates pressure with the EOS root selected at the datum side of the gas-oil contact, and leaves the phase split to the subsequent flash.
Type 3 treats ZMFVD as the liquid composition below the contact and uses its equilibrium vapour above it. The contact pressure is adjusted to the bubble point when requested; EQUIL item 11 can preserve the supplied pressure.
EQLNUM regions are equilibrated independently. Region values are mapped to the leaf grid for local refinement, and invalid rank-local values are propagated collectively in parallel runs.

Type 2, COMPVD, and water zones are not supported. The RK4 integrator and pressure function are moved to a shared header and reused by both initialization paths.

Unit and regression tests cover types 1 and 3, item 11, multiple EQLNUM regions, constant and graded RTEMPVD, missing ZMFVD, local-refinement mapping, and synchronized invalid-EQLNUM failures.

Depends on OPM/opm-common#5349 for defaulted EQUIL item 11 (merged already). Parallel flow_comp runs also require #7387.

GitPaean · 2026-08-10T13:23:20Z

jenkins build this opm-common=5283 please

Copilot

Pull request overview

Note

Copilot was unable to run its full agentic suite in this review.

This PR adds compositional hydrostatic equilibration support (EQUIL + ZMFVD) and aligns compositional restart/output behavior with expected Eclipse-style arrays, while also improving parallel correctness for data exchange and residual metrics.

Changes:

Add shared hydrostatic ODE integrator + pressure function, and implement compositional equilibration (InitStateEquilComp).
Extend distributed field-property handling to support multi-values-per-cell double keywords (e.g., ZMF).
Improve compositional restart/output (renamed arrays, new POIL/PGAS/PSAT/VMF) and fix parallel solution syncing / residual evaluation.

Reviewed changes

Copilot reviewed 14 out of 14 changed files in this pull request and generated 4 comments.

Show a summary per file

File	Description
opm/simulators/utils/UnsupportedFlowKeywords.cpp	Removes ZMFVD from the “unsupported” list.
opm/simulators/utils/PropsDataHandle.hpp	Supports multi-valued double fields per cell during broadcast/packing/unpacking.
opm/simulators/utils/PartiallySupportedFlowKeywords.cpp	Tightens allowed EQUIL item 10/11 values for compositional initialization.
opm/simulators/flow/equil/PressureFunction.hpp	Introduces reusable RK4 IVP integrator + depth→pressure function.
opm/simulators/flow/equil/InitStateEquil_impl.hpp	Removes local integrator/pressure-function implementations now moved to shared header.
opm/simulators/flow/equil/InitStateEquilComp.hpp	Adds compositional equilibration implementation based on EQUIL + ZMFVD (+ RTEMPVD).
opm/simulators/flow/equil/InitStateEquil.hpp	Switches black-oil equilibration to shared PressureFunction implementation.
opm/simulators/flow/OutputCompositionalModule.hpp	Adds compositional restart alignment (renames) + new outputs (phase pressures, PSAT, VMF).
opm/simulators/flow/NonlinearSystemCompositional_impl.hpp	Adds updateSolution with overlap sync; residual metrics now ignore ghost cells.
opm/simulators/flow/NonlinearSystemCompositional.hpp	Declares updateSolution().
opm/simulators/flow/FlowProblemComp.hpp	Enables compositional equilibration; fixes parallel transmissibility export approach.
opm/simulators/flow/CompositionalContainer.hpp	Adds buffers/APIs for POIL/PGAS/PSAT/VMF and allocation checks.
opm/simulators/flow/CompositionalContainer.cpp	Allocates and writes new restart arrays; fixes moleFractions_ allocation check.
CMakeLists_files.cmake	Installs new public headers for compositional equilibration and PressureFunction.

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GitPaean · 2026-08-10T14:14:34Z

jenkins build this opm-common=5283 failure_report please

GitPaean · 2026-08-10T15:18:25Z

jenkins build this opm-common=5283 failure_report please

GitPaean · 2026-08-11T09:10:00Z

jenkins build this opm-common=5283 failure_report please

GitPaean · 2026-08-12T12:11:12Z

jenkins build this opm-common=5283 please

GitPaean · 2026-08-18T21:23:42Z

jenkins build this opm-common=5283 please

Copilot

Pull request overview

Copilot reviewed 11 out of 11 changed files in this pull request and generated 3 comments.

Suppressed comments (1)

opm/simulators/flow/equil/InitStateEquilComp.hpp:420

For a datum depth different from the contact, pDatum below is nevertheless used directly as the pressure at reg.zgoc. The warning therefore silently shifts the entire hydrostatic pressure profile instead of honoring the EQUIL datum. Either reject this input or integrate the datum pressure to the contact before constructing the two pressure functions.

        if (std::abs(record.datumDepth() - reg.zgoc) > 0.0) {
            OpmLog::warning(fmt::format("Equilibration region {}: the datum depth {} m "
                                        "must be at the gas-oil contact when EQUIL "
                                        "item 10 is 3; using the contact depth {} m.",
                                        regionIdx + 1, record.datumDepth(), reg.zgoc));

EQUIL_1D_ZMFVD uses type-1 initialization and integrates pressure with the liquid EOS root. Flashing the resulting total composition produces gas in the methane-rich upper cells, and the short initial time steps begin resolving its segregation. EQUIL_1D_ZMFVD_OIL initializes a gas cap over a liquid leg with the contact at the liquid bubble-point pressure.

EQLNUM is given on the unrefined input grid while the equilibration works on the leaf grid. Copying the array straight across left refined cells at region 1 and the coarse cells with input-ordered values in leaf-ordered slots. Use the same LookUpData mapping the black-oil initializer uses; it reduces to the identity without local refinement.

A gas-oil contact inside an EQUIL type-1 region requires COMPVD or ZMFVD variation across the contact for proper phase labeling. Only warn when the supported ZMFVD input has no such variation.

Document that type 3 uses the gas-oil contact as the reference depth. Rename the local pressure values to distinguish the user input from the pressure applied at the contact, and explain that item 11 retains the numeric input even when it is not the saturation pressure.

Include <utility> directly for std::move instead of relying on a transitive include.

Describe the numerical expectations directly and use a generic input-state parameter name.

Clamp ZMFVD and RTEMPVD/TEMPVD evaluations in hydrostatic integration, contact saturation-pressure calculations, and cell assignment. Test equivalent padded tables and contacts outside both ends of the input ranges.

Require EQUIL item 6 to be zero because the downstream flash uses a single pressure for all phases. Cover positive and negative values for initialization types 1 and 3 and report the offending region.

Reject nonzero EQUIL item 9 values instead of silently applying cell-centre initialization. Test explicit zero and positive and negative subdivision requests for both supported initialization types.

Report pressures through the unit helpers instead of a bare 1e5, name the repeated depth-table and tolerance constants, and compare compositions with std::ranges::equal. Output is unchanged.

GitPaean · 2026-09-16T11:57:38Z

I consider the implementation is clean and ready for review now. With some consideration, I think it is okay to get ZMFVD PR in first. Then COMPVD equilibration (#7373), which should be a much smaller PR.

So far the implementation is straightforward. It might be challenged with more testing cases, especially the field case testing. More development in the line will be very likely.

GitPaean · 2026-09-16T11:57:55Z

jenkins build this failure_report please

GitPaean · 2026-09-17T08:27:47Z

jenkins build this update_data failure_report please

https://ci.opm-project.org/job/opm-simulators-PR-builder/10643/

GitPaean · 2026-09-17T09:05:05Z

jenkins build this opm-tests=1607 please

Reason: PR OPM/opm-simulators#7306 opm-common = 562cf6c6edfb3c0836dcd540ea8582e313b8ee8a opm-grid = ed27fd832c1da18f4e0177f2d88e5197c3da23f0 opm-simulators = d2f0e6717fa3af86d447e25dd3485f7401a78d4f ### Changed Tests ### * equil_1d_zmfvd * equil_1d_zmfvd_oil

Automatic Reference Data Update for PR OPM/opm-simulators#7306

bska

Nice!

The new reference solutions have been installed on the CI system so I'll merge this into master.

GitPaean added the manual:enhancement This is an enhancement/improvent that needs to be documented in the manual label Aug 10, 2026

GitPaean changed the title ~~compositional equilibration~~ compositional equilibration with ZMFVD Aug 10, 2026

GitPaean requested a balanced review from Copilot August 10, 2026 13:24

Copilot stopped reviewing on behalf of GitPaean due to an error August 10, 2026 13:25
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Copilot AI reviewed Aug 10, 2026

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Comment thread opm/simulators/flow/FlowProblemComp.hpp

Comment thread opm/simulators/flow/CompositionalContainer.cpp

Comment thread opm/simulators/flow/equil/PressureFunction.hpp

Comment thread opm/simulators/flow/OutputCompositionalModule.hpp Outdated

GitPaean force-pushed the comp_equil_july_6th branch from 0cb16eb to f06fea8 Compare August 10, 2026 15:17

GitPaean force-pushed the comp_equil_july_6th branch from f06fea8 to 53bf2f2 Compare August 11, 2026 08:54

GitPaean force-pushed the comp_equil_july_6th branch from 53bf2f2 to 98e5a87 Compare August 12, 2026 11:53

GitPaean force-pushed the comp_equil_july_6th branch from 98e5a87 to d0e7ce4 Compare August 18, 2026 21:23

GitPaean force-pushed the comp_equil_july_6th branch 2 times, most recently from d1f4b11 to 4b581c0 Compare August 22, 2026 21:48

GitPaean requested a balanced review from Copilot August 22, 2026 21:49

Copilot started reviewing on behalf of GitPaean August 22, 2026 21:50 View session

Copilot AI reviewed Aug 22, 2026

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Comment thread opm/simulators/utils/PropsDataHandle.hpp Outdated

Comment thread opm/simulators/flow/equil/InitStateEquilComp.hpp

Comment thread opm/simulators/flow/equil/InitStateEquilComp.hpp Outdated

GitPaean mentioned this pull request Aug 23, 2026

Require a positive sample count in the equilibration pressure integation #7347

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GitPaean force-pushed the comp_equil_july_6th branch from a15704f to 6606a88 Compare August 24, 2026 10:48

GitPaean mentioned this pull request Aug 24, 2026

two compositional cases with EQUIL + ZMFVD OPM/opm-tests#1574

Merged

GitPaean force-pushed the comp_equil_july_6th branch 5 times, most recently from 83a3afa to 9cc88f6 Compare August 25, 2026 13:54

GitPaean mentioned this pull request Aug 27, 2026

[test] refactoring InitStateEquil #6967

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GitPaean force-pushed the comp_equil_july_6th branch from 9cc88f6 to 8c5eea9 Compare August 28, 2026 20:00

GitPaean added 15 commits September 16, 2026 13:19

Clarify type-1 contact diagnostic

b643d6f

A gas-oil contact inside an EQUIL type-1 region requires COMPVD or ZMFVD variation across the contact for proper phase labeling. Only warn when the supported ZMFVD input has no such variation.

Make pressure function header self-contained

4acc1d7

Include <utility> directly for std::move instead of relying on a transitive include.

Use neutral wording in equilibration tests

512e212

Describe the numerical expectations directly and use a generic input-state parameter name.

Clarify the type-1 pre-flash test state

9d25e76

Synchronize invalid EQLNUM failures

3b219d3

Use constant endpoints for compositional depth tables

5f5063a

Clamp ZMFVD and RTEMPVD/TEMPVD evaluations in hydrostatic integration, contact saturation-pressure calculations, and cell assignment. Test equivalent padded tables and contacts outside both ends of the input ranges.

Reject unsupported compositional contact capillary pressure

6f5518d

Require EQUIL item 6 to be zero because the downstream flash uses a single pressure for all phases. Cover positive and negative values for initialization types 1 and 3 and report the offending region.

Validate compositional EQUIL initialization accuracy

4efdfe6

Reject nonzero EQUIL item 9 values instead of silently applying cell-centre initialization. Test explicit zero and positive and negative subdivision requests for both supported initialization types.

Run compositional EQUIL error propagation test on two ranks

33c34ab

Validate compositional EQUIL input sizes and extend tests

47d34b6

Clarify defaulted EQUIL item 11 validation

320f115

Tidy compositional equilibration constants and comparisons

dc6106b

Report pressures through the unit helpers instead of a bare 1e5, name the repeated depth-table and tolerance constants, and compare compositions with std::ranges::equal. Output is unchanged.

GitPaean marked this pull request as ready for review September 16, 2026 11:57

GitPaean requested review from akva2 and bska September 16, 2026 11:58

GitPaean mentioned this pull request Sep 16, 2026

Correct the EQUIL_1D_ZMFVD header and add summary output OPM/opm-tests#1584

Merged

jenkins4opm mentioned this pull request Sep 17, 2026

Automatic Reference Data Update for PR https://github.com/OPM/opm-simulators/pull/7306 OPM/opm-tests#1607

Merged

bska added a commit to OPM/opm-tests that referenced this pull request Sep 17, 2026

Merge pull request #1607 from jenkins4opm/update_opm-simulators_7306

56344cc

Automatic Reference Data Update for PR OPM/opm-simulators#7306

bska approved these changes Sep 17, 2026

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bska merged commit 8acaa3e into OPM:master Sep 17, 2026
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GitPaean deleted the comp_equil_july_6th branch September 17, 2026 10:09

GitPaean mentioned this pull request Sep 18, 2026

compositional equilibration with COMPVD #7373

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