From 29cba822601a5269f24d0ec1abb2477e320b1032 Mon Sep 17 00:00:00 2001
From: Katharina Heck <katharina.heck@iws.uni-stuttgart.de>
Date: Mon, 29 Apr 2019 10:45:54 +0200
Subject: [PATCH] [fix][nonequilibrium][tests] fix gradient calculation in
nonequilibrium source calculaiton.
This fixes a bug introduced with !1517 and thus fixes the
test_mpnc_kinetic test. However the newly introduced 2p2c test
references were created with the buggy code and thus have to updated (in
this patch). We make it more robust by increasing the Newton accuracy,
introducing checkpoints and incresing the initial time step size, which
results in many less time steps.
---
.../nonequilibrium/localresidual.hh | 2 +-
.../chemicalnonequilibrium/CMakeLists.txt | 4 +-
.../implicit/chemicalnonequilibrium/main.cc | 6 +-
.../chemicalnonequilibrium/params.input | 6 +-
...test_2p2c_nonequilibrium_box-reference.vtu | 798 +++++++++---------
...est_2p2c_nonequilibrium_tpfa-reference.vtu | 686 +++++++--------
6 files changed, 754 insertions(+), 748 deletions(-)
diff --git a/dumux/porousmediumflow/nonequilibrium/localresidual.hh b/dumux/porousmediumflow/nonequilibrium/localresidual.hh
index 55f33bd403..971015036a 100644
--- a/dumux/porousmediumflow/nonequilibrium/localresidual.hh
+++ b/dumux/porousmediumflow/nonequilibrium/localresidual.hh
@@ -331,7 +331,7 @@ public:
const Scalar diffCoeff = volVars.diffusionCoefficient(phaseIdx, compIdx);
//now compute the flux
- const Scalar compFluxIntoOtherPhase = factorMassTransfer * (xEquil-xNonEquil)*characteristicLength * awn * volVars.molarDensity(phaseIdx) * diffCoeff * sherwoodNumber;
+ const Scalar compFluxIntoOtherPhase = factorMassTransfer * (xEquil-xNonEquil)/characteristicLength * awn * volVars.molarDensity(phaseIdx) * diffCoeff * sherwoodNumber;
componentIntoPhaseMassTransfer[phaseIdx][compIdx] += compFluxIntoOtherPhase;
componentIntoPhaseMassTransfer[compIdx][compIdx] += -compFluxIntoOtherPhase;
diff --git a/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/CMakeLists.txt b/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/CMakeLists.txt
index b191160af6..c45f4321b4 100644
--- a/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/CMakeLists.txt
+++ b/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/CMakeLists.txt
@@ -7,7 +7,7 @@ dune_add_test(NAME test_2p2c_nonequilibrium_box
COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py
CMD_ARGS --script fuzzy
--files ${CMAKE_SOURCE_DIR}/test/references/test_2p2c_nonequilibrium_box-reference.vtu
- ${CMAKE_CURRENT_BINARY_DIR}/test_2p2c_nonequilibrium_box-00029.vtu
+ ${CMAKE_CURRENT_BINARY_DIR}/test_2p2c_nonequilibrium_box-00005.vtu
--command "${CMAKE_CURRENT_BINARY_DIR}/test_2p2c_nonequilibrium_box params.input -Problem.Name test_2p2c_nonequilibrium_box")
dune_add_test(NAME test_2p2c_nonequilibrium_tpfa
@@ -17,5 +17,5 @@ dune_add_test(NAME test_2p2c_nonequilibrium_tpfa
COMMAND ${CMAKE_SOURCE_DIR}/bin/testing/runtest.py
CMD_ARGS --script fuzzy
--files ${CMAKE_SOURCE_DIR}/test/references/test_2p2c_nonequilibrium_tpfa-reference.vtu
- ${CMAKE_CURRENT_BINARY_DIR}/test_2p2c_nonequilibrium_tpfa-00029.vtu
+ ${CMAKE_CURRENT_BINARY_DIR}/test_2p2c_nonequilibrium_tpfa-00005.vtu
--command "${CMAKE_CURRENT_BINARY_DIR}/test_2p2c_nonequilibrium_tpfa params.input -Problem.Name test_2p2c_nonequilibrium_tpfa")
diff --git a/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/main.cc b/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/main.cc
index c9ad78ca32..2cb235a79d 100644
--- a/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/main.cc
+++ b/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/main.cc
@@ -144,7 +144,7 @@ int main(int argc, char** argv) try
vtkWriter.write(0.0);
// instantiate time loop
- auto timeLoop = std::make_shared<TimeLoop<Scalar>>(0, dt, tEnd);
+ auto timeLoop = std::make_shared<CheckPointTimeLoop<Scalar>>(0, dt, tEnd);
timeLoop->setMaxTimeStepSize(maxDt);
// the assembler with time loop for instationary problem
@@ -160,6 +160,7 @@ int main(int argc, char** argv) try
NewtonSolver nonLinearSolver(assembler, linearSolver);
// time loop
+ timeLoop->setPeriodicCheckPoint(getParam<Scalar>("TimeLoop.CheckPointInterval"));
timeLoop->start(); do
{
// set previous solution for storage evaluations
@@ -179,7 +180,8 @@ int main(int argc, char** argv) try
problem->updateVtkFields(x);
// write vtk output
- vtkWriter.write(timeLoop->time());
+ if (timeLoop->isCheckPoint() || timeLoop->finished())
+ vtkWriter.write(timeLoop->time());
// report statistics of this time step
timeLoop->reportTimeStep();
diff --git a/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/params.input b/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/params.input
index 93ddf67c81..d6df7a9f63 100644
--- a/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/params.input
+++ b/test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/params.input
@@ -1,6 +1,7 @@
[TimeLoop]
-DtInitial =1e-2 # [s]
+DtInitial = 1e3 # [s]
TEnd = 1e4 # [s]
+CheckPointInterval = 2e3 # [s]
[Grid]
UpperRight = 10 10
@@ -21,3 +22,6 @@ factorMassTransfer = 0.5
SolidDensity = 2700
SolidThermalConductivity = 2.8
SolidHeatCapacity = 790
+
+[Newton]
+MaxRelativeShift = 1e-12
diff --git a/test/references/test_2p2c_nonequilibrium_box-reference.vtu b/test/references/test_2p2c_nonequilibrium_box-reference.vtu
index 884808b307..8966a50150 100644
--- a/test/references/test_2p2c_nonequilibrium_box-reference.vtu
+++ b/test/references/test_2p2c_nonequilibrium_box-reference.vtu
@@ -4,70 +4,70 @@
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--
GitLab