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add CompositionalContainer, a container for compositional data output

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start by moving data members into it
This commit is contained in:
Arne Morten Kvarving
2025-02-04 16:31:52 +01:00
parent de1e2480f8
commit 4bfadcd80d
6 changed files with 101 additions and 16 deletions
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2
CMakeLists_files.cmake
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@@ -90,6 +90,7 @@ list (APPEND MAIN_SOURCE_FILES
opm/simulators/flow/BlackoilModelParameters.cpp
opm/simulators/flow/BlackoilModelConvergenceMonitor.cpp
opm/simulators/flow/CollectDataOnIORank.cpp
opm/simulators/flow/CompositionalContainer.cpp
opm/simulators/flow/ConvergenceOutputConfiguration.cpp
opm/simulators/flow/EclGenericWriter.cpp
opm/simulators/flow/ExtboContainer.cpp
@@ -821,6 +822,7 @@ list (APPEND PUBLIC_HEADER_FILES
opm/simulators/flow/BlackoilModelProperties.hpp
opm/simulators/flow/CollectDataOnIORank.hpp
opm/simulators/flow/CollectDataOnIORank_impl.hpp
opm/simulators/flow/CompositionalContainer.hpp
opm/simulators/flow/ConvergenceOutputConfiguration.hpp
opm/simulators/flow/countGlobalCells.hpp
opm/simulators/flow/CpGridVanguard.hpp

29
opm/simulators/flow/CompositionalContainer.cpp Normal file
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@@ -0,0 +1,29 @@
// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
// vi: set et ts=4 sw=4 sts=4:
/*
This file is part of the Open Porous Media project (OPM).
OPM is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 2 of the License, or
(at your option) any later version.
OPM is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with OPM. If not, see <http://www.gnu.org/licenses/>.
Consult the COPYING file in the top-level source directory of this
module for the precise wording of the license and the list of
copyright holders.
*/
#include <config.h>
#include <opm/simulators/flow/CompositionalContainer.hpp>
namespace Opm {
} // namespace Opm

52
opm/simulators/flow/CompositionalContainer.hpp Normal file
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@@ -0,0 +1,52 @@
// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
// vi: set et ts=4 sw=4 sts=4:
/*
This file is part of the Open Porous Media project (OPM).
OPM is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 2 of the License, or
(at your option) any later version.
OPM is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with OPM. If not, see <http://www.gnu.org/licenses/>.
Consult the COPYING file in the top-level source directory of this
module for the precise wording of the license and the list of
copyright holders.
*/
/*!
* \file
* \copydoc Opm::OutputBlackOilModule
*/
#ifndef OPM_COMPOSITIONAL_CONTAINER_HPP
#define OPM_COMPOSITIONAL_CONTAINER_HPP
#include <array>
#include <vector>
namespace Opm {
template<class FluidSystem>
class CompositionalContainer
{
using Scalar = typename FluidSystem::Scalar;
using ScalarBuffer = std::vector<Scalar>;
static constexpr int numComponents = FluidSystem::numComponents;
static constexpr int numPhases = FluidSystem::numPhases;
public:
// total mole fractions for each component
std::array<ScalarBuffer, numComponents> moleFractions_;
// mole fractions for each component in each phase
std::array<std::array<ScalarBuffer, numComponents>, numPhases> phaseMoleFractions_;
};
} // namespace Opm
#endif // OPM_COMPOSITIONAL_CONTAINER_HPP

12
opm/simulators/flow/GenericOutputBlackoilModule.cpp
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@@ -536,21 +536,21 @@ assignToSolution(data::Solution& sol)
// ZMF
for (int i = 0; i < numComponents; ++i) {
const auto name = fmt::format("ZMF{}", i + 1); // Generate ZMF1, ZMF2, ...
compositionalEntries.emplace_back(name, UnitSystem::measure::identity, moleFractions_[i]);
compositionalEntries.emplace_back(name, UnitSystem::measure::identity, compC_.moleFractions_[i]);
}
// XMF
for (int i = 0; i < numComponents; ++i) {
const auto name = fmt::format("XMF{}", i + 1); // Generate XMF1, XMF2, ...
compositionalEntries.emplace_back(name, UnitSystem::measure::identity,
phaseMoleFractions_[oilPhaseIdx][i]);
compC_.phaseMoleFractions_[oilPhaseIdx][i]);
}
// YMF
for (int i = 0; i < numComponents; ++i) {
const auto name = fmt::format("YMF{}", i + 1); // Generate YMF1, YMF2, ...
compositionalEntries.emplace_back(name, UnitSystem::measure::identity,
phaseMoleFractions_[gasPhaseIdx][i]);
compC_.phaseMoleFractions_[gasPhaseIdx][i]);
}
}
@@ -1297,21 +1297,21 @@ doAllocBuffers(const unsigned bufferSize,
if (rstKeywords["ZMF"] > 0) {
rstKeywords["ZMF"] = 0;
for (int i = 0; i < numComponents; ++i) {
moleFractions_[i].resize(bufferSize, 0.0);
compC_.moleFractions_[i].resize(bufferSize, 0.0);
}
}
if (rstKeywords["XMF"] > 0 && FluidSystem::phaseIsActive(oilPhaseIdx)) {
rstKeywords["XMF"] = 0;
for (int i = 0; i < numComponents; ++i) {
phaseMoleFractions_[oilPhaseIdx][i].resize(bufferSize, 0.0);
compC_.phaseMoleFractions_[oilPhaseIdx][i].resize(bufferSize, 0.0);
}
}
if (rstKeywords["YMF"] > 0 && FluidSystem::phaseIsActive(gasPhaseIdx)) {
rstKeywords["YMF"] = 0;
for (int i = 0; i < numComponents; ++i) {
phaseMoleFractions_[gasPhaseIdx][i].resize(bufferSize, 0.0);
compC_.phaseMoleFractions_[gasPhaseIdx][i].resize(bufferSize, 0.0);
}
}
}

6
opm/simulators/flow/GenericOutputBlackoilModule.hpp
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@@ -32,6 +32,7 @@
#include <opm/output/data/Wells.hpp>
#include <opm/output/eclipse/Inplace.hpp>
#include <opm/simulators/flow/CompositionalContainer.hpp>
#include <opm/simulators/flow/ExtboContainer.hpp>
#include <opm/simulators/flow/FIPContainer.hpp>
#include <opm/simulators/flow/FlowsData.hpp>
@@ -468,10 +469,7 @@ protected:
std::array<ScalarBuffer, numPhases> viscosity_;
std::array<ScalarBuffer, numPhases> relativePermeability_;
// total mole fractions for each component
std::array<ScalarBuffer, numComponents> moleFractions_;
// mole fractions for each component in each phase
std::array<std::array<ScalarBuffer, numComponents>, numPhases> phaseMoleFractions_;
CompositionalContainer<FluidSystem> compC_;
std::vector<ScalarBuffer> freeTracerConcentrations_;
std::vector<ScalarBuffer> solTracerConcentrations_;

16
opm/simulators/flow/OutputCompositionalModule.hpp
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@@ -32,12 +32,16 @@
#include <opm/simulators/utils/moduleVersion.hpp>
#include <opm/common/Exceptions.hpp>
#include <opm/common/ErrorMacros.hpp>
#include <opm/common/TimingMacros.hpp>
#include <opm/common/OpmLog/OpmLog.hpp>
#include <opm/input/eclipse/EclipseState/SummaryConfig/SummaryConfig.hpp>
#include <opm/material/common/Valgrind.hpp>
#include <opm/models/blackoil/blackoilproperties.hh>
#include <opm/models/common/multiphasebaseproperties.hh>
#include <opm/models/utils/parametersystem.hpp>
#include <opm/models/utils/propertysystem.hh>
@@ -188,19 +192,19 @@ public:
}
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
if (this->moleFractions_[compIdx].empty()) continue;
if (this->compC_.moleFractions_[compIdx].empty()) continue;
this->moleFractions_[compIdx][globalDofIdx] = getValue(fs.moleFraction(compIdx));
this->compC_.moleFractions_[compIdx][globalDofIdx] = getValue(fs.moleFraction(compIdx));
}
// XMF and YMF
for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
if (FluidSystem::phaseIsActive(oilPhaseIdx)) {
if (this->phaseMoleFractions_[oilPhaseIdx][compIdx].empty()) continue;
this->phaseMoleFractions_[oilPhaseIdx][compIdx][globalDofIdx] = getValue(fs.moleFraction(oilPhaseIdx, compIdx));
if (this->compC_.phaseMoleFractions_[oilPhaseIdx][compIdx].empty()) continue;
this->compC_.phaseMoleFractions_[oilPhaseIdx][compIdx][globalDofIdx] = getValue(fs.moleFraction(oilPhaseIdx, compIdx));
}
if (FluidSystem::phaseIsActive(gasPhaseIdx)) {
if (this->phaseMoleFractions_[gasPhaseIdx][compIdx].empty()) continue;
this->phaseMoleFractions_[gasPhaseIdx][compIdx][globalDofIdx] = getValue(fs.moleFraction(gasPhaseIdx, compIdx));
if (this->compC_.phaseMoleFractions_[gasPhaseIdx][compIdx].empty()) continue;
this->compC_.phaseMoleFractions_[gasPhaseIdx][compIdx][globalDofIdx] = getValue(fs.moleFraction(gasPhaseIdx, compIdx));
}
}