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##################################################### |
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# Makefile for libmdtools (bundled with OOPSE) # |
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##################################################### |
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# You should not change anything here. # |
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##################################################### |
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TOP=.. |
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include $(TOP)/Make.conf |
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.SUFFIXES : .c .cpp .F90 .hpp .h $(O) |
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# First do compile-time flags: |
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DECLARES= -DFRC_PATH="$(FORCE_PARAM_DIR)" |
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MPI_DECLARES= -DIS_MPI |
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# include paths starting with "." are all relative to the SUBDIRS!!! |
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INCLUDES= -I.. -I../../libBASS -I$(SPRNG_INC) |
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MPI_INCLUDES= -I$(MPICH_INC) -I$(MPI_F90_MODS) |
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CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARES) $(MPI_INCLUDES) |
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CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARES) |
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FFLAGS=$(FFLAGS_C) |
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DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS -I$(SPRNG_INC) $(MPI_INCLUDES) |
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MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
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MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
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MPI_FFLAGS=$(FFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
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SRC_DIR := $(PWD) |
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# Then do the compile rules: |
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obj/%.o: %.F90 |
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cd obj; $(FC) $(FFLAGS) -c $(SRC_DIR)/$< |
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MPIobj/%.o: %.F90 |
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cd MPIobj; $(FC) $(MPI_FFLAGS) -c $(SRC_DIR)/$< |
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obj/%.o: %.cpp |
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cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$< |
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MPIobj/%.o: %.cpp |
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cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$< |
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obj/%.o: %.c |
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cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$< |
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MPIobj/%.o: %.c |
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cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$< |
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# Then list what we have to compile |
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C_FILES = \ |
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$(DIR)/mpiForceField.c \ |
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$(DIR)/fInfo.c |
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CXX_FILES = \ |
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$(DIR)/Atom.cpp \ |
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$(DIR)/Bend.cpp \ |
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$(DIR)/BendExtensions.cpp \ |
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$(DIR)/Bond.cpp \ |
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$(DIR)/BondExtensions.cpp \ |
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$(DIR)/DirectionalAtom.cpp \ |
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$(DIR)/DumpWriter.cpp \ |
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$(DIR)/Exclude.cpp \ |
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$(DIR)/InitializeFromFile.cpp \ |
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$(DIR)/LJFF.cpp \ |
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$(DIR)/EAM_FF.cpp \ |
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$(DIR)/SimInfo.cpp \ |
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$(DIR)/SimSetup.cpp \ |
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$(DIR)/StatWriter.cpp \ |
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$(DIR)/Integrator.cpp \ |
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$(DIR)/Thermo.cpp \ |
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$(DIR)/GhostBend.cpp \ |
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$(DIR)/Torsion.cpp \ |
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$(DIR)/TorsionExtensions.cpp \ |
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$(DIR)/DUFF.cpp \ |
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$(DIR)/randomSPRNG.cpp \ |
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$(DIR)/fortranWrappers.cpp \ |
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$(DIR)/ForceFields.cpp \ |
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$(DIR)/mpiSimulation.cpp \ |
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$(DIR)/Molecule.cpp |
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F90_FILES= \ |
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$(DIR)/Linux_ifc_machdep.F90 \ |
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$(DIR)/status_module.F90 \ |
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$(DIR)/atype_module.F90 \ |
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$(DIR)/calc_dipole_dipole.F90 \ |
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$(DIR)/calc_reaction_field.F90 \ |
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$(DIR)/calc_LJ_FF.F90 \ |
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$(DIR)/calc_eam.F90 \ |
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$(DIR)/calc_sticky_pair.F90 \ |
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$(DIR)/do_Forces.F90 \ |
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$(DIR)/vector_class.F90 \ |
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$(DIR)/simulation_module.F90 \ |
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$(DIR)/wrappers.F90 \ |
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$(DIR)/neighborLists.F90 \ |
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$(DIR)/calc_gb.F90 \ |
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$(DIR)/force_globals.F90 \ |
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$(DIR)/mpiSimulation_module.F90 \ |
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$(DIR)/notifyCutoffs.F90 |
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DIR:=. |
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C_SRCS := $(C_FILES) |
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CXX_SRCS := $(CXX_FILES) |
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F90_SRCS := $(F90_FILES) |
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SRCS := $(C_SRCS) $(CXX_SRCS) $(F90_SRCS) |
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DIR:=obj |
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C_OBJS := $(C_FILES:.c=.o) |
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CXX_OBJS := $(CXX_FILES:.cpp=.o) |
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F90_OBJS := $(F90_FILES:.F90=.o) |
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OBJS := $(C_OBJS) $(CXX_OBJS) $(F90_OBJS) |
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DIR:=MPIobj |
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C_MPIOBJS := $(C_FILES:.c=.o) |
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CXX_MPIOBJS := $(CXX_FILES:.cpp=.o) |
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F90_MPIOBJS := $(F90_FILES:.F90=.o) |
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MPIOBJS := $(C_MPIOBJS) $(CXX_MPIOBJS) $(F90_MPIOBJS) |
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LIBSUBDIRS = \ |
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obj \ |
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MPIobj |
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# Possible make targets: |
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all: Make.dep libmdtools.a libmdtools_MPI.a |
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libmdtools.a: $(OBJS) |
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$(RM) $@ |
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$(AR) cr $@ $(OBJS) |
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$(RANLIB) $@ |
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libmdtools_MPI.a: $(MPIOBJS) |
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$(RM) $@ |
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$(AR) cr $@ $(MPIOBJS) |
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$(RANLIB) $@ |
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.PHONY : clean |
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clean : dummy |
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for i in $(LIBSUBDIRS); do \ |
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(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
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done |
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$(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp |
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distclean : dummy |
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for i in $(LIBSUBDIRS); do \ |
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(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
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done |
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$(RM) libmdtools.a libmdtools_MPI.a *.o *.mod *~ Make.temp Make.ftemp Make.dep |
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depend : Make.dep |
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Make.dep : $(SRCS) |
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echo "Only C dependencies are made automagically!" |
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echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep |
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$(CC) $(DEPFLAGS) -MM $(C_SRCS) $(CXX_SRCS) \ |
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| sed 's/\.o:/\$$(O)\ :/g' > Make.temp |
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cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
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cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep |
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# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90 |
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# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90 |
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# cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep |
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$(RM) Make.ftemp Make.temp |
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install : dummy |
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links : dummy |
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tests : dummy |
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dummy : |
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include Make.dep |
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gezelter |
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obj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
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mmeineke |
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gezelter |
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obj/vector_class$(O): ./vector_class.F90 |
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mmeineke |
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chuckv |
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obj/status_module$(O): ./status_module.F90 |
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gezelter |
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obj/force_globals$(O): ./force_globals.F90 \ |
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obj/$(F_MACH_DEFS) |
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gezelter |
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obj/neighborLists$(O): ./neighborLists.F90 \ |
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obj/$(F_MACH_DEFS) |
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gezelter |
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obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
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mmeineke |
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obj/$(F_MACH_DEFS) \ |
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chuckv |
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obj/simulation_module$(O) \ |
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mmeineke |
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obj/force_globals$(O) |
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chuckv |
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obj/calc_eam$(O): ./calc_eam.F90 \ |
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obj/$(F_MACH_DEFS) \ |
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obj/atype_module$(O) \ |
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obj/simulation_module$(O) \ |
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obj/vector_class$(O) \ |
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obj/force_globals$(O) \ |
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obj/status_module$(O) |
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gezelter |
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obj/calc_gb$(O): ./calc_gb.F90 \ |
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mmeineke |
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obj/$(F_MACH_DEFS) \ |
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chuckv |
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obj/simulation_module$(O) \ |
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mmeineke |
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obj/force_globals$(O) |
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gezelter |
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obj/atype_module$(O): ./atype_module.F90 \ |
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mmeineke |
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obj/$(F_MACH_DEFS) \ |
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gezelter |
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obj/vector_class$(O) |
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mmeineke |
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gezelter |
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obj/simulation_module$(O): ./simulation_module.F90 \ |
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mmeineke |
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obj/$(F_MACH_DEFS) \ |
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chuckv |
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obj/vector_class$(O) \ |
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obj/force_globals$(O) \ |
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mmeineke |
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obj/atype_module$(O) \ |
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obj/neighborLists$(O) |
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gezelter |
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obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
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mmeineke |
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obj/$(F_MACH_DEFS) \ |
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obj/atype_module$(O) \ |
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chuckv |
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obj/simulation_module$(O) \ |
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mmeineke |
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obj/vector_class$(O) \ |
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obj/force_globals$(O) |
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gezelter |
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obj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
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mmeineke |
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obj/$(F_MACH_DEFS) \ |
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obj/vector_class$(O) \ |
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gezelter |
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obj/atype_module$(O) \ |
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chuckv |
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obj/simulation_module$(O) \ |
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mmeineke |
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obj/force_globals$(O) |
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gezelter |
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obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
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mmeineke |
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obj/$(F_MACH_DEFS) \ |
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obj/atype_module$(O) \ |
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chuckv |
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obj/simulation_module$(O) \ |
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mmeineke |
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obj/force_globals$(O) \ |
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obj/vector_class$(O) |
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gezelter |
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obj/do_Forces$(O): ./do_Forces.F90 \ |
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mmeineke |
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obj/$(F_MACH_DEFS) \ |
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gezelter |
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obj/atype_module$(O) \ |
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mmeineke |
377 |
obj/simulation_module$(O) \ |
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obj/neighborLists$(O) \ |
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obj/calc_LJ_FF$(O) \ |
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obj/calc_sticky_pair$(O) \ |
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obj/calc_dipole_dipole$(O) \ |
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obj/calc_reaction_field$(O) \ |
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obj/calc_gb$(O) \ |
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mmeineke |
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obj/force_globals$(O) \ |
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obj/vector_class$(O) |
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mmeineke |
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mmeineke |
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obj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
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obj/$(F_MACH_DEFS) \ |
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obj/atype_module$(O) \ |
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obj/calc_LJ_FF$(O) \ |
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obj/calc_dipole_dipole$(O) \ |
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obj/calc_reaction_field$(O) \ |
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obj/do_Forces$(O) |
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gezelter |
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obj/wrappers$(O): ./wrappers.F90 \ |
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mmeineke |
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obj/$(F_MACH_DEFS) \ |
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gezelter |
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obj/atype_module$(O) \ |
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mmeineke |
377 |
obj/simulation_module$(O) \ |
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gezelter |
462 |
obj/calc_sticky_pair$(O) \ |
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obj/calc_gb$(O) \ |
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mmeineke |
626 |
obj/do_Forces$(O) \ |
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obj/notifyCutoffs$(O) |
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mmeineke |
377 |
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mmeineke |
626 |
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mmeineke |
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#MPI dependencies: |
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gezelter |
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MPIobj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
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mmeineke |
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|
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gezelter |
386 |
MPIobj/vector_class$(O): ./vector_class.F90 |
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mmeineke |
377 |
|
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chuckv |
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MPIobj/status_module$(O): ./status_module.F90 |
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gezelter |
386 |
MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 |
287 |
mmeineke |
377 |
|
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gezelter |
386 |
MPIobj/force_globals$(O): ./force_globals.F90 \ |
289 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
290 |
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MPIobj/$(F_MACH_DEFS) |
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gezelter |
386 |
MPIobj/neighborLists$(O): ./neighborLists.F90 \ |
293 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
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MPIobj/mpiSimulation_module$(O) |
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gezelter |
386 |
MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
297 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
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chuckv |
460 |
MPIobj/simulation_module$(O) \ |
299 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
300 |
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MPIobj/force_globals$(O) |
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gezelter |
386 |
MPIobj/calc_gb$(O): ./calc_gb.F90 \ |
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mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
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chuckv |
460 |
MPIobj/simulation_module$(O) \ |
305 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
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MPIobj/force_globals$(O) |
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chuckv |
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MPIobj/calc_eam$(O): ./calc_eam.F90 \ |
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MPIobj/$(F_MACH_DEFS) \ |
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MPIobj/atype_module$(O) \ |
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MPIobj/simulation_module$(O) \ |
312 |
chuckv |
648 |
MPIobj/mpiSimulation_module$(O) \ |
313 |
chuckv |
631 |
MPIobj/vector_class$(O) \ |
314 |
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MPIobj/force_globals$(O) \ |
315 |
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MPIobj/status_module$(O) |
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gezelter |
386 |
MPIobj/atype_module$(O): ./atype_module.F90 \ |
319 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
320 |
gezelter |
462 |
MPIobj/vector_class$(O) |
321 |
mmeineke |
377 |
|
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gezelter |
386 |
MPIobj/simulation_module$(O): ./simulation_module.F90 \ |
323 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
324 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
325 |
chuckv |
460 |
MPIobj/vector_class$(O) \ |
326 |
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MPIobj/force_globals$(O) \ |
327 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
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MPIobj/atype_module$(O) \ |
329 |
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MPIobj/neighborLists$(O) |
330 |
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|
331 |
gezelter |
386 |
MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
332 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
333 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
334 |
chuckv |
460 |
MPIobj/simulation_module$(O) \ |
335 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
336 |
|
|
MPIobj/atype_module$(O) \ |
337 |
|
|
MPIobj/vector_class$(O) \ |
338 |
|
|
MPIobj/force_globals$(O) |
339 |
|
|
|
340 |
gezelter |
386 |
MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
341 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
342 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
343 |
chuckv |
460 |
MPIobj/simulation_module$(O) \ |
344 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
345 |
|
|
MPIobj/vector_class$(O) \ |
346 |
|
|
MPIobj/atype_module$(O) \ |
347 |
|
|
MPIobj/force_globals$(O) |
348 |
|
|
|
349 |
gezelter |
386 |
MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
350 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
351 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
352 |
chuckv |
460 |
MPIobj/simulation_module$(O) \ |
353 |
mmeineke |
377 |
MPIobj/mpiSimulation_module$(O) \ |
354 |
|
|
MPIobj/force_globals$(O) \ |
355 |
|
|
MPIobj/vector_class$(O) |
356 |
|
|
|
357 |
gezelter |
386 |
MPIobj/do_Forces$(O): ./do_Forces.F90 \ |
358 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
359 |
|
|
MPIobj/mpiSimulation_module$(O) \ |
360 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
361 |
mmeineke |
377 |
MPIobj/simulation_module$(O) \ |
362 |
|
|
MPIobj/neighborLists$(O) \ |
363 |
|
|
MPIobj/calc_LJ_FF$(O) \ |
364 |
|
|
MPIobj/calc_sticky_pair$(O) \ |
365 |
|
|
MPIobj/calc_dipole_dipole$(O) \ |
366 |
|
|
MPIobj/calc_reaction_field$(O) \ |
367 |
|
|
MPIobj/calc_gb$(O) \ |
368 |
mmeineke |
626 |
MPIobj/force_globals$(O) \ |
369 |
|
|
MPIobj/vector_class$(O) |
370 |
mmeineke |
377 |
|
371 |
mmeineke |
626 |
MPIobj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
372 |
|
|
MPIobj/$(F_MACH_DEFS) \ |
373 |
|
|
MPIobj/atype_module$(O) \ |
374 |
|
|
MPIobj/calc_LJ_FF$(O) \ |
375 |
|
|
MPIobj/calc_dipole_dipole$(O) \ |
376 |
|
|
MPIobj/calc_reaction_field$(O) \ |
377 |
|
|
MPIobj/do_Forces$(O) |
378 |
|
|
|
379 |
gezelter |
386 |
MPIobj/wrappers$(O): ./wrappers.F90 \ |
380 |
mmeineke |
377 |
MPIobj/$(F_MACH_DEFS) \ |
381 |
|
|
MPIobj/mpiSimulation_module$(O) \ |
382 |
gezelter |
462 |
MPIobj/atype_module$(O) \ |
383 |
mmeineke |
377 |
MPIobj/simulation_module$(O) \ |
384 |
gezelter |
462 |
MPIobj/calc_sticky_pair$(O) \ |
385 |
|
|
MPIobj/calc_gb$(O) \ |
386 |
mmeineke |
626 |
MPIobj/do_Forces$(O) \ |
387 |
|
|
MPIobj/notifyCutoffs$(O) |