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Fixes for LLNL system #202

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Fixes for LLNL system #202

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fb2b26d
Fix a few things for llnl intel build
Mar 25, 2024
ef48678
Format code
jeanlucf22 Mar 25, 2024
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1 change: 0 additions & 1 deletion CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,6 @@ endif()

message(STATUS "MPIEXEC: ${MPIEXEC}\n")

set(HDF5_USE_STATIC_LIBRARIES ON)
find_package(HDF5 COMPONENTS C HL REQUIRED)
message(STATUS ${HDF5_VERSION} )
include_directories(${HDF5_INCLUDE_DIR})
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13 changes: 3 additions & 10 deletions scripts/build_llnl_2d
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@@ -1,31 +1,24 @@
#!/usr/bin/env bash
module load intel
module load intel/2022.1.0-magic
module load hdf5-serial
module load boost
module load netcdf
module load netcdf-cxx4-serial
module load cmake
module load python/3.8.2

export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/gapps/phasefield/lib/netcdf-cxx-intel/lib

module load python/3.9.12

rm -rf CMakeCache.txt
rm -rf CMakeFiles/
rm cmake_install.cmake
rm Makefile
rm -f ../source/fortran/2d/*.f

NETCDF_DIR=/usr/gapps/phasefield/lib/netcdf-cxx-intel

cmake -DCMAKE_CXX_COMPILER=mpic++ \
-DCMAKE_C_COMPILER=mpicc \
-DCMAKE_Fortran_COMPILER=mpif77 \
-DSAMRAI_DIR=/usr/gapps/phasefield/samrai/samrai-4.1.0 \
-DHYPRE_DIR=/usr/gapps/phasefield/hypre/hypre-2.21.0 \
-DSUNDIALS_DIR=/usr/gapps/phasefield/sundials/sundials-5.4.0 \
-DCMAKE_BUILD_TYPE=Release \
-DBUILD_SHARED_LIBS=OFF \
-DCMAKE_PREFIX_PATH=$NETCDF_DIR \
-DNDIM="2" \
-DTHERMO4PFM_DIR=/usr/gapps/phasefield/Thermo4PFM \
..
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11 changes: 7 additions & 4 deletions source/QuadraticFreeEnergyStrategyMultiOrder.h
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Expand Up @@ -53,11 +53,13 @@ class QuadraticFreeEnergyStrategyMultiOrder : public FreeEnergyStrategy
void addDrivingForce(const double time, hier::Patch& patch,
const int temperature_id, const int phase_id,
const int eta_id, const int conc_id, const int f_l_id,
const int f_a_id, const int f_b_id, const int rhs_id);
const int f_a_id, const int f_b_id,
const int rhs_id) override;

void computeSecondDerivativeEnergyPhaseL(
const double temperature, const std::vector<double>& c,
std::vector<double>& d2fdc2, const bool use_internal_units = true)
std::vector<double>& d2fdc2,
const bool use_internal_units = true) override
{
(void)temperature;

Expand All @@ -68,7 +70,8 @@ class QuadraticFreeEnergyStrategyMultiOrder : public FreeEnergyStrategy
}
void computeSecondDerivativeEnergyPhaseA(
const double temperature, const std::vector<double>& c,
std::vector<double>& d2fdc2, const bool use_internal_units = true)
std::vector<double>& d2fdc2,
const bool use_internal_units = true) override
{
(void)temperature;

Expand Down Expand Up @@ -100,7 +103,7 @@ class QuadraticFreeEnergyStrategyMultiOrder : public FreeEnergyStrategy
}
}

void preRunDiagnostics(const double temperature){};
void preRunDiagnostics(const double temperature) override{};


private:
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11 changes: 7 additions & 4 deletions source/QuadraticFreeEnergyStrategyMultiOrderTernaryThreePhase.h
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Expand Up @@ -50,11 +50,13 @@ class QuadraticFreeEnergyStrategyMultiOrderTernaryThreePhase
void addDrivingForce(const double time, hier::Patch& patch,
const int temperature_id, const int phase_id,
const int eta_id, const int conc_id, const int f_l_id,
const int f_a_id, const int f_b_id, const int rhs_id);
const int f_a_id, const int f_b_id,
const int rhs_id) override;

void computeSecondDerivativeEnergyPhaseL(
const double temperature, const std::vector<double>& c,
std::vector<double>& d2fdc2, const bool use_internal_units = true)
std::vector<double>& d2fdc2,
const bool use_internal_units = true) override
{
(void)temperature;

Expand All @@ -65,7 +67,8 @@ class QuadraticFreeEnergyStrategyMultiOrderTernaryThreePhase
}
void computeSecondDerivativeEnergyPhaseA(
const double temperature, const std::vector<double>& c,
std::vector<double>& d2fdc2, const bool use_internal_units = true)
std::vector<double>& d2fdc2,
const bool use_internal_units = true) override
{
(void)temperature;

Expand Down Expand Up @@ -114,7 +117,7 @@ class QuadraticFreeEnergyStrategyMultiOrderTernaryThreePhase
}
}

void preRunDiagnostics(const double temperature){};
void preRunDiagnostics(const double temperature) override{};


private:
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8 changes: 5 additions & 3 deletions source/TemperatureFreeEnergyStrategy.h
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Expand Up @@ -47,14 +47,16 @@ class TemperatureFreeEnergyStrategy : public FreeEnergyStrategy

void computeSecondDerivativeEnergyPhaseL(
const double temperature, const std::vector<double>& c,
std::vector<double>& d2fdc2, const bool use_internal_units = true);
std::vector<double>& d2fdc2,
const bool use_internal_units = true) override;
void computeSecondDerivativeEnergyPhaseA(
const double temperature, const std::vector<double>& c,
std::vector<double>& d2fdc2, const bool use_internal_units = true);
std::vector<double>& d2fdc2,
const bool use_internal_units = true) override;
void computeSecondDerivativeEnergyPhaseB(
const double temperature, const std::vector<double>& c,
std::vector<double>& d2fdc2, const bool use_internal_units = true);
void preRunDiagnostics(const double temperature){};
void preRunDiagnostics(const double temperature) override{};

private:
double d_latent_heat;
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