INSTALL_DIR = /users/software/mpich2-1.4.1p1_intel #INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh #BIN=../bin #FC = ifort FC= ${INSTALL_DIR}/bin/mpif90 OPT = -O3 -ip -w DEB = -g -CA -CB -check pointer #-check uninit #OPT = -O3 #-ip FFLAGS = -fpp -c ${DEB} #${OPT} #-I. -I./include_unres -I$(INSTALL_DIR)/include FFLAGSE = -fpp -c ${DEB} #${OPT} #-I. -I./include_unres -I$(INSTALL_DIR)/include FFLAGS2 = -fpp -c -g -CA -CB #-O0 #OPT = -CB -g #FFLAGS = ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include #CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DMP -DMPI #LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB #.c.o: # cc -c -DLINUX -DPGI $*.c #.f.o: # ${FC} ${FFLAGS} $*.f #.F.o: # ${FC} ${FFLAGS} ${CPPFLAGS} ${FFLAGS} $*.F #UNRES_FILE= ../../UNRESS/unres_f90/source/unres_MD-M UNRES_FILE= ../unres UNRES_DATA_FILE= ../unres/data WHAM_FILE= ../wham data = clust_data.o #w_compar_data.o w_comm_local.o data_unres = names.o io_units.o control_data.o calc_data.o \ compare_data.o control_data.o minim_data.o MD_data.o\ energy_data.o geometry_data.o MPI_data.o MCM_data.o comm_local.o objects_unres = xdrf/*.o math.o geometry.o \ io_base.o energy.o regularize.o control.o io_config.o #compare_data.o control_data.o minim_data.o CSA_data.o objects_wham = wham_data.o conform_compar.o io_wham.o work_partition.o objects = track.o hc.o io_clust.o probabl.o cluster.o all: no_option @echo "Specify force field: GAB or E0LL2Y" no_option: GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DCLUSTER GAB: EXE_FILE = ../../bin/cluster_GAB_F90_EL.exe GAB: ${data} ${data_unres} ${objects_unres} ${objects_wham} ${objects} $(FC) ${OPT} ${data} ${data_unres} ${objects_unres} ${objects_wham} ${objects} -o ${EXE_FILE} # $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD-mult_MPICH-GAB.exe E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \ -DSPLITELE -DLANG0 -DCLUSTER E0LL2Y: EXE_FILE = ../../bin/cluster_E0LL2Y_F90_EL.exe E0LL2Y: ${data} ${data_unres} ${objects_unres} ${objects_wham} ${objects} $(FC) ${OPT} ${data} ${data_unres} ${objects_unres} ${objects_wham} ${objects} -o ${EXE_FILE} # $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD-mult_MPICH-E0LL2Y.exe xdrf/*.o: cd xdrf && make clean: rm -f *.o && rm -f *.mod && rm -f compinfo && cd xdrf && make clean # rm -f *.o && rm -f *.mod && rm ${EXE_FILE} && rm -f compinfo && cd xdrf && make clean clust_data.o: clust_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} clust_data.f90 wham_data.o: ${WHAM_FILE}/wham_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/wham_data.f90 names.o: ${UNRES_DATA_FILE}/names.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/names.f90 io_units.o: ${UNRES_DATA_FILE}/io_units.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/io_units.f90 calc_data.o: ${UNRES_DATA_FILE}/calc_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/calc_data.f90 compare_data.o: ${UNRES_DATA_FILE}/compare_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/compare_data.f90 control_data.o: ${UNRES_DATA_FILE}/control_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/control_data.f90 energy_data.o: ${UNRES_DATA_FILE}/energy_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/energy_data.f90 geometry_data.o: ${UNRES_DATA_FILE}/geometry_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/geometry_data.f90 map_data.o: ${UNRES_DATA_FILE}/map_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/map_data.f90 MCM_data.o: ${UNRES_DATA_FILE}/MCM_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/MCM_data.f90 MD_data.o: ${UNRES_DATA_FILE}/MD_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/MD_data.f90 minim_data.o: ${UNRES_DATA_FILE}/minim_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/minim_data.f90 MPI_data.o: ${UNRES_DATA_FILE}/MPI_data.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/MPI_data.f90 comm_local.o: ${UNRES_DATA_FILE}/comm_local.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/comm_local.f90 math.o: ${UNRES_FILE}/math.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/math.f90 geometry.o: ${UNRES_FILE}/geometry.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/geometry.f90 io_base.o: ${UNRES_FILE}/io_base.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io_base.f90 energy.o: ${UNRES_FILE}/energy.f90 ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/energy.f90 control.o: ${UNRES_FILE}/control.F90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/control.F90 io_config.o: ${UNRES_FILE}/io_config.f90 ${FC} ${FFLAGS2} ${CPPFLAGS} ${UNRES_FILE}/io_config.f90 regularize.o: ${UNRES_FILE}/regularize.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/regularize.f90 proc_proc.o: proc_proc.c ${CC} ${CPPFLAGS} -O -c proc_proc.c io_wham.o: ${WHAM_FILE}/io_wham.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/io_wham.f90 conform_compar.o: ${WHAM_FILE}/conform_compar.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/conform_compar.f90 work_partition.o: ${WHAM_FILE}/work_partition.f90 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/work_partition.f90 probabl.o: probabl.f90 ${FC} ${FFLAGS} ${CPPFLAGS} probabl.f90 track.o: track.f90 ${FC} ${FFLAGS} ${CPPFLAGS} track.f90 hc.o: hc.f90 ${FC} ${FFLAGS} ${CPPFLAGS} hc.f90 io_clust.o: io_clust.f90 ${FC} ${FFLAGS} ${CPPFLAGS} io_clust.f90 cluster.o: cluster.f90 ${FC} ${FFLAGS} ${CPPFLAGS} cluster.f90