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Commit 4973e77

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Paulo Vinicius da Costa Medeiros
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Hello, world. I'm BandUP, now on GitHub.
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‎COPYING

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‎build.sh

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#!/bin/bash
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working_dir=`pwd`
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bin_folder="${working_dir}/BandUP_bin"
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mkdir -p ${bin_folder}
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rm -f ${bin_folder}/BandUP.x
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cd src
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make
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make clean
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mv -f BandUP.x ${bin_folder}
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cd ${working_dir}

‎build_MPI.sh

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#!/bin/bash
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mpi="impi/4.0.3.008"
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working_dir=`pwd`
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bin_folder="${working_dir}/BandUP_bin"
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mkdir -p ${bin_folder}
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rm -f ${bin_folder}/BandUP_MPI.x
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cd src
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module load $mpi
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make -f Makefile_MPI
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make clean -f Makefile_MPI
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mv -f BandUP_MPI.x ${bin_folder}
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cd ${working_dir}

‎src/Makefile

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# Adapted from:
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# Makefile-Fortran: A Makefile for a simple Fortran project
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# Copyright (C) 2009 Davide Cesari, dcesari <at> arpa.emr.it
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# Available at http://www.webalice.it/o.drofa/davide/makefile-fortran/makefile-fortran.html
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# Distributed according to the GNU GPL license.
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# This makefile works with the GNU make command, the one find on
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# GNU/Linux systems and often called gmake on non-GNU systems
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# ======================================================================
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# Declarations
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# ======================================================================
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# The compiler
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FC = ifort
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# Required flags: "-assume byterecl" is required for the compilation of the read_wavecar_mod module
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FCFLAGS = -assume byterecl
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# Shared memory parallelization
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FCFLAGS += -openmp -parallel
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# Flags for maximum performance, portability, etc. Comment (or modify) as necessary.
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#FCFLAGS += -static
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FCFLAGS += -O2 -ipo
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#FCFLAGS += -O2 -ipo -xHost
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#FCFLAGS += -O2 -xAVX # Uncomment if you have an Intel processor supporting the AVX instruction set
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# Enable/disable warnings and remarks
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FCFLAGS += -warn unused
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FCFLAGS += -diag-disable remark
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# List of executables to be built within the package
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SRC = main_BandUP.f90
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OBJ = ${SRC:.f90=.o}
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EXE = BandUP.x
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# "make" builds all
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all: $(EXE)
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band_unfolding_routines_mod.o: math_mod.o
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read_wavecar_mod.o: math_mod.o general_io_mod.o
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io_routines_mod.o: math_mod.o strings_mod.o general_io_mod.o read_wavecar_mod.o
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$(OBJ): math_mod.o io_routines_mod.o read_wavecar_mod.o band_unfolding_routines_mod.o
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$(EXE): math_mod.o band_unfolding_routines_mod.o general_io_mod.o read_wavecar_mod.o strings_mod.o io_routines_mod.o $(OBJ)
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# ======================================================================
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# General rules
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# ======================================================================
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$(EXE): $(OBJ)
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$(FC) $(FCFLAGS) -o $@ $^ $(LDFLAGS)
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%.o: %.f90
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$(FC) $(FCFLAGS) -c $<
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%.o: %.F90
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$(FC) $(FCFLAGS) -c $<
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# Utility targets
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.PHONY: clean veryclean
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clean:
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rm -f *.o *.mod *.MOD
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veryclean: clean
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rm -f *~ $(EXE)
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‎src/Makefile_MPI

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# Adapted from:
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# Makefile-Fortran: A Makefile for a simple Fortran project
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# Copyright (C) 2009 Davide Cesari, dcesari <at> arpa.emr.it
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# Available at http://www.webalice.it/o.drofa/davide/makefile-fortran/makefile-fortran.html
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# Distributed according to the GNU GPL license.
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# This makefile works with the GNU make command, the one find on
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# GNU/Linux systems and often called gmake on non-GNU systems
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# ======================================================================
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# Declarations
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# ======================================================================
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# The compiler
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FC = ifort
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# Required flags: "-assume byterecl" is required for the compilation of the read_wavecar_mod module
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FCFLAGS = -assume byterecl
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# Parallelization
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FCFLAGS += -Nmpi -openmp -parallel
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# Flags for maximum performance, portability, etc. Comment (or modify) as necessary.
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FCFLAGS += -O2 -ipo
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#FCFLAGS += -O2 -ipo -xHost
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#FCFLAGS += -O2 -xAVX # Uncomment if you have an Intel processor supporting the AVX instruction set
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# Enable/disable warnings and remarks
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FCFLAGS += -warn unused
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FCFLAGS += -diag-disable remark
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# List of executables to be built within the package
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SRC = main_BandUP_MPI.f90
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OBJ = ${SRC:.f90=.o}
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EXE = BandUP_MPI.x
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# "make" builds all
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all: $(EXE)
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band_unfolding_routines_mod.o: math_mod.o
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read_wavecar_mod.o: math_mod.o general_io_mod.o
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io_routines_mod.o: math_mod.o strings_mod.o general_io_mod.o read_wavecar_mod.o
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$(OBJ): math_mod.o io_routines_mod.o read_wavecar_mod.o band_unfolding_routines_mod.o
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$(EXE): math_mod.o band_unfolding_routines_mod.o general_io_mod.o read_wavecar_mod.o strings_mod.o io_routines_mod.o $(OBJ)
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# ======================================================================
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# General rules
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# ======================================================================
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$(EXE): $(OBJ)
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$(FC) $(FCFLAGS) -o $@ $^ $(LDFLAGS)
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%.o: %.f90
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$(FC) $(FCFLAGS) -c $<
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%.o: %.F90
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$(FC) $(FCFLAGS) -c $<
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# Utility targets
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.PHONY: clean veryclean
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clean:
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rm -f *.o *.mod *.MOD
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veryclean: clean
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rm -f *~ $(EXE)
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