| 1 | # Makefile: smmp
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| 2 |
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| 3 | #.SILENT:
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| 4 | %_p.o : %_p.f
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| 5 | $(MPIF90) $(F_FLAGS) $<
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| 6 |
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| 7 | .SUFFIXES: .o .f
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| 8 | .f.o:
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| 9 | $(F90) $(F_FLAGS) $<
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| 10 |
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| 11 | .SUFFIXES: .o .f90
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| 12 | .f90.o:
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| 13 | $(F90) $(F_FLAGS) $<
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| 14 |
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| 15 | # ==================================== Variables for compiling and linking
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| 16 | # L_FLAGS=-O0 -g
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| 17 | # Linker flags
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| 18 | # Default flags, e.g., for gfortran, g77
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| 19 | L_FLAGS=-O2 -g
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| 20 | # Flags for Intel's ifort
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| 21 | # L_FLAGS=-O3 -axW -g
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| 22 | # FLAGS for Cray
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| 23 | # L_FLAGS=-fastsse -Mipa
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| 24 | # Flags for xlf
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| 25 | # L_FLAGS=-O3 -qhot -q64 -qipa -qextname=flush
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| 26 | # L_FLAGS=-fPIC -O3 -funroll-loops -mmmx -msse2 -msse -march=i686 -malign-double -fomit-frame-pointer
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| 27 | # Compiler flags
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| 28 | # Default flags, e.g., for gfortran, g77
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| 29 | F_FLAGS=-c -O2 -g
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| 30 | # Flags for Intel's ifort
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| 31 | # F_FLAGS=-c -O3 -axW -g
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| 32 | # Flags for debugging build
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| 33 | # F_FLAGS=-c -O0 -g
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| 34 | # FLAGS for Cray
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| 35 | # F_FLAGS=-c -fastsse -Mipa
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| 36 | # Flags for xlf
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| 37 | # F_FLAGS=-c -O3 -qhot -q64 -qipa -qextname=flush
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| 38 | # F_FLAGS=-c -fPIC -O3 -funroll-loops -mmmx -msse2 -msse -march=i686 -malign-double -fomit-frame-pointer
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| 39 | # Select your compiler
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| 40 | F90=gfortran
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| 41 | #F90=ifort
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| 42 | #F90=pgf90
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| 43 | #F90=xlf
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| 44 | # F90=nagf90
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| 45 | MPIF90 = mpif90
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| 46 | # ______________________________________________ Name of program
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| 47 | BASEOBJ = ../redseq.o ../bldmol.o ../getmol.o ../redvar.o ../setvar.o \
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| 48 | ../difang.o ../setmvs.o ../mklist.o ../redstr.o ../dihedr.o ../enyflx.o \
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| 49 | ../addend.o ../opeflx.o ../opeshe.o \
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| 50 | ../contacts.o ../hbond.o ../helix.o ../outvar.o ../outpdb.o \
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| 51 | ../pdbread.o ../rmsdfun.o ../enyreg.o ../opereg.o ../cnteny.o \
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| 52 | ../init_energy.o ../init_molecule.o ../gradient.o ../energy.o \
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| 53 | ../regul.o ../nursvr.o ../twister.o ../eninteract.o ../eyabgn.o ../enylun.o\
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| 54 | ../bgs.o ../minim.o ../minqsn.o ../mincjg.o ../opesol.o ../esolan.o
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| 55 | ENOBJ = ../enyshe.o ../enysol.o
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| 56 | PENOBJ = ../enyshe_p.o ../enysol_p.o
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| 57 | MCOBJ = ../canon.o ../metropolis.o ../rgyr.o
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| 58 |
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| 59 | all: minimization annealing multicanonical regularization parallel_tempering_s # rootmeansquaredev
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| 60 |
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| 61 | minimization: $(BASEOBJ) $(ENOBJ) minimization.o
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| 62 | $(F90) -o minimization $(L_FLAGS) $(BASEOBJ) $(ENOBJ) minimization.o
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| 63 |
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| 64 | annealing: $(BASEOBJ) $(MCOBJS) $(ENOBJ) annealing.o
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| 65 | $(F90) -o annealing $(L_FLAGS) $(BASEOBJ) $(MCOBJ) $(ENOBJ) ../anneal.o ../zimmer.o annealing.o
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| 66 |
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| 67 | multicanonical: $(BASEOBJ) $(MCOBJS) $(ENOBJ) multicanonical.o ../mulcan_par_mod.o
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| 68 | $(F90) -o multicanonical $(L_FLAGS) $(BASEOBJ) $(MCOBJ) $(ENOBJ) multicanonical.o ../mulcan_par_mod.o
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| 69 |
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| 70 | regularization: $(BASEOBJ) $(ENOBJ) regularization.o
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| 71 | $(F90) -o regularization $(L_FLAGS) $(BASEOBJ) $(ENOBJ) regularization.o
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| 72 |
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| 73 | # rootmeansquaredev: $(BASEOBJ) $(ENOBJ) rootmeansquaredev.o
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| 74 | # $(F90) -o rootmeansquaredev $(L_FLAGS) $(BASEOBJ) $(ENOBJ) rootmeansquaredev.o
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| 75 |
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| 76 | parallel_tempering: $(BASEOBJ) $(PENOBJ) $(MCOBJS) ../utilities.o partem_p.o parallel_tempering_p.o
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| 77 | $(MPIF90) -o parallel_tempering $(L_FLAGS) $(BASEOBJ) $(PENOBJ) $(MCOBJ) ../utilities.o partem_p.o parallel_tempering_p.o
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| 78 |
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| 79 | parallel_tempering_s: $(BASEOBJ) $(ENOBJ) $(MCOBJ) ../partem_s.o ../utilities.o parallel_tempering_s.o
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| 80 | $(F90) -o parallel_tempering_s $(L_FLAGS) $(BASEOBJ) $(ENOBJ) $(MCOBJ) ../utilities.o ../partem_s.o parallel_tempering_s.o
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| 81 |
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| 82 | .PHONY: clean, restore
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| 83 | clean:
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| 84 | rm -f minimization annealing multicanonical regularization rootmeansquaredev parallel_tempering_s parallel_tempering core* *.o *~
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| 85 | # end
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