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MCTDHF.pro
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MCTDHF.pro
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CONFIG+=MPI
DEFINES += USE_MPI
TEMPLATE = app
CONFIG += console
CONFIG -= app_bundle
CONFIG -= qt
cluster{
INCLUDEPATH += /home/sigve/usr/local/include
INCLUDEPATH += /home/sigve/usr/include
LIBS += -L/home/sigve/usr/local/lib -lconfig++ -llapack -lblas -larmadillo -L/home/sigve/usr/lib -lfftw3 -lm
}
abel{
QMAKE_CXX = mpicxx
QMAKE_CXX_RELEASE = $$QMAKE_CXX
QMAKE_CXX_DEBUG = $$QMAKE_CXX
QMAKE_LINK = $$QMAKE_CXX
QMAKE_CC = mpicc
CONFIG-=MPI
LIBS += -L/usit/abel/u1/sigve/usr/lib -lconfig++ -L/usit/abel/u1/sigve/usr/lib64 -larmadillo -L/usit/abel/u1/sigve/usr/lib -lfftw3 \
-L$(MKLROOT)/lib/intel64 -lpthread -mkl_intel_lp64 -liomp5
QMAKE_CXXFLAGS += -DMKL_LP64 -I/cluster/software/VERSIONS/intel-2013.2/mkl/include -I$HOME/libs/armadillo/usr/include -openmp
QMAKE_CXXFLAGS -= -m64
INCLUDEPATH += /usit/abel/u1/sigve/usr/lib
INCLUDEPATH += /usit/abel/u1/sigve/usr/lib64
INCLUDEPATH += /usit/abel/u1/sigve/usr/include
}
MPI{
QMAKE_CXX = mpicxx
QMAKE_CXX_RELEASE = $$QMAKE_CXX
QMAKE_CXX_DEBUG = $$QMAKE_CXX
QMAKE_LINK = $$QMAKE_CXX
QMAKE_CC = mpicc
QMAKE_CFLAGS = $$system(mpicc --showme:compile)
QMAKE_LFLAGS = $$system(mpicxx --showme:link)
QMAKE_CXXFLAGS = $$system(mpicxx --showme:compile) -DMPICH_IGNORE_CXX_SEEK
QMAKE_CXXFLAGS_RELEASE = $$QMAKE_CXXFLAGS
}
default{
LIBS += -lconfig++ -llapack -lblas -larmadillo -lfftw3 -lm
}
CONFIG(debug, debug|release) {
# DEFINES += DEBUG
}
release {
# Remoing other O flags
QMAKE_CXXFLAGS_RELEASE -= -O
QMAKE_CXXFLAGS_RELEASE -= -O1
QMAKE_CXXFLAGS_RELEASE -= -O2
# add the desired -O3 if not present
QMAKE_CXXFLAGS_RELEASE *= -O3
DEFINES += ARMA_NO_DEBUG
}
QMAKE_CXXFLAGS += -std=c++0x
SOURCES += main.cpp \
src/mctdhfapplication.cpp \
src/Basis/basis.cpp \
src/SlaterDeterminants/slaterdeterminants.cpp \
src/Interaction/interaction.cpp \
src/WaveFunction/wavefunction.cpp \
src/WaveFunction/Implementations/harmonicoscillator.cpp \
src/includes/lib.cpp \
src/OrbitalEquation/orbitalequation.cpp \
src/SlaterEquation/slaterequation.cpp \
src/includes/binaryoperations.cpp \
src/Basis/implementation/basisharmonicoscillator.cpp \
src/OneParticleOperator/oneparticleoperator.cpp \
src/ComplexTimePropagation/complextimepropagation.cpp \
src/ComplexTimePropagation/ComplexTimeIntegrator/implementation/complextimerungekutta4.cpp \
src/ComplexTimePropagation/ComplexTimeIntegrator/implementation/complextimecranknicholson.cpp \
src/OneParticleOperator/DifferentialOperator/differentialoperator.cpp \
src/OneParticleOperator/DifferentialOperator/implementation/finitedifference1d.cpp \
src/OneParticleOperator/DifferentialOperator/implementation/spectral1d.cpp \
src/WaveFunction/Implementations/hydrogenlike.cpp \
src/Basis/implementation/basishydrogenlike.cpp \
src/Potential/potential.cpp \
src/InteractionPotential/interactionpotential.cpp \
src/InteractionPotential/implementation/harmonicoscillatorinteraction.cpp \
src/InteractionPotential/implementation/screenedcoulombinteraction.cpp \
src/OneParticleOperator/DifferentialOperator/implementation/finitedifferencefivepoint1d.cpp \
src/Interaction/MeanFieldIntegrator/meanfieldintegrator.cpp \
src/Interaction/MeanFieldIntegrator/implementation/mftrapezoidal.cpp \
src/Interaction/MeanFieldIntegrator/implementation/mflowrankapproximation.cpp \
src/ComplexTimePropagation/ComplexTimeIntegrator/implementation/complextimerungekuttafehlberg.cpp \
src/Potential/implementation/harmonicoscillatoronebody.cpp \
src/Potential/implementation/coulombinteractionnucleus.cpp \
src/TimePropagation/timepropagation.cpp \
src/TimePropagation/implementation/rungekutta4.cpp \
src/Potential/implementation/simplelaser.cpp \
src/Potential/implementation/anharmonicdoublewell.cpp \
src/Basis/implementation/randomunitarymatrix.cpp \
src/TimePropagation/implementation/rungekuttafehlberg.cpp \
src/Grid/grid.cpp \
src/OneParticleOperator/DifferentialOperator/implementation/finitedifference2d.cpp \
src/OneParticleOperator/DifferentialOperator/implementation/finitedifferencefivepoint2d.cpp \
src/Potential/implementation/finiteharmonicoscillator_ob.cpp \
src/OneParticleOperator/DifferentialOperator/implementation/fourier2d.cpp \
src/Potential/implementation/gaussiandoublewell.cpp
HEADERS += \
src/mctdhfapplication.h \
src/includes/defines.h \
src/Basis/basis.h \
src/SlaterDeterminants/slaterdeterminants.h \
src/Interaction/interaction.h \
src/WaveFunction/wavefunction.h \
src/WaveFunction/Implementations/harmonicoscillator.h \
src/includes/lib.h \
src/OrbitalEquation/orbitalequation.h \
src/SlaterEquation/slaterequation.h \
src/includes/binaryoperations.h \
src/Basis/implementation/basisharmonicoscillator.h \
src/OneParticleOperator/oneparticleoperator.h \
src/ComplexTimePropagation/complextimepropagation.h \
src/ComplexTimePropagation/ComplexTimeIntegrator/implementation/complextimerungekutta4.h \
src/ComplexTimePropagation/ComplexTimeIntegrator/implementation/complextimecranknicholson.h \
src/OneParticleOperator/DifferentialOperator/differentialoperator.h \
src/OneParticleOperator/DifferentialOperator/implementation/finitedifference1d.h \
src/OneParticleOperator/DifferentialOperator/implementation/spectral1d.h \
src/WaveFunction/Implementations/hydrogenlike.h \
src/Basis/implementation/basishydrogenlike.h \
src/Potential/potential.h \
src/InteractionPotential/interactionpotential.h \
src/InteractionPotential/implementation/harmonicoscillatorinteraction.h \
src/InteractionPotential/implementation/screenedcoulombinteraction.h \
src/OneParticleOperator/DifferentialOperator/implementation/finitedifferencefivepoint1d.h \
src/Interaction/MeanFieldIntegrator/meanfieldintegrator.h \
src/Interaction/MeanFieldIntegrator/implementation/mftrapezoidal.h \
src/Interaction/MeanFieldIntegrator/implementation/mflowrankapproximation.h \
src/ComplexTimePropagation/ComplexTimeIntegrator/implementation/complextimerungekuttafehlberg.h \
src/Potential/implementation/harmonicoscillatoronebody.h \
src/Potential/implementation/coulombinteractionnucleus.h \
src/TimePropagation/timepropagation.h \
src/TimePropagation/implementation/rungekutta4.h \
src/Potential/implementation/simplelaser.h \
src/Potential/implementation/anharmonicdoublewell.h \
src/Basis/implementation/randomunitarymatrix.h \
src/TimePropagation/implementation/rungekuttafehlberg.h \
src/Grid/grid.h \
src/OneParticleOperator/DifferentialOperator/implementation/finitedifference2d.h \
src/OneParticleOperator/DifferentialOperator/implementation/finitedifferencefivepoint2d.h \
src/Potential/implementation/finiteharmonicoscillator_ob.h \
src/OneParticleOperator/DifferentialOperator/implementation/fourier2d.h \
src/Potential/implementation/gaussiandoublewell.h
OTHER_FILES += \
../config.cfg \
README.md \
../config.cfg \
../test2.cfg