1 INSTALL_DIR = /users/software/mpich2-1.4.1p1_intel
2 #INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
5 FC= ${INSTALL_DIR}/bin/mpif90
7 DEB = -g -CA -CB -check pointer #-check uninit
9 FFLAGS = -fpp -c ${DEB} #${OPT} #-I. -I./include_unres -I$(INSTALL_DIR)/include
10 FFLAGSE = -fpp -c ${DEB} #${OPT} #-I. -I./include_unres -I$(INSTALL_DIR)/include
11 FFLAGS2 = -fpp -c -g -CA -CB #-O0
13 #FFLAGS = ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
14 #CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DMP -DMPI
15 #LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
18 # cc -c -DLINUX -DPGI $*.c
21 # ${FC} ${FFLAGS} $*.f
24 # ${FC} ${FFLAGS} ${CPPFLAGS} ${FFLAGS} $*.F
25 #UNRES_FILE= ../../UNRESS/unres_f90/source/unres_MD-M
27 UNRES_DATA_FILE= ../unres/data
31 #w_compar_data.o w_comm_local.o
33 data_unres = names.o io_units.o control_data.o calc_data.o \
34 compare_data.o control_data.o minim_data.o MD_data.o\
35 energy_data.o geometry_data.o MPI_data.o MCM_data.o comm_local.o
37 objects_unres = xdrf/*.o math.o geometry.o \
38 io_base.o energy.o regularize.o control.o io_config.o
41 #compare_data.o control_data.o minim_data.o CSA_data.o
42 objects_wham = wham_data.o conform_compar.o io_wham.o work_partition.o
44 objects = track.o hc.o io_clust.o probabl.o cluster.o
47 @echo "Specify force field: GAB or E0LL2Y"
51 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
52 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DCLUSTER
53 GAB: EXE_FILE = ../../bin/cluster_GAB_F90_EL.exe
54 GAB: ${data} ${data_unres} ${objects_unres} ${objects_wham} ${objects}
55 $(FC) ${OPT} ${data} ${data_unres} ${objects_unres} ${objects_wham} ${objects} -o ${EXE_FILE}
56 # $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD-mult_MPICH-GAB.exe
58 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
59 -DSPLITELE -DLANG0 -DCLUSTER
60 E0LL2Y: EXE_FILE = ../../bin/cluster_E0LL2Y_F90_EL.exe
61 E0LL2Y: ${data} ${data_unres} ${objects_unres} ${objects_wham} ${objects}
62 $(FC) ${OPT} ${data} ${data_unres} ${objects_unres} ${objects_wham} ${objects} -o ${EXE_FILE}
63 # $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD-mult_MPICH-E0LL2Y.exe
69 rm -f *.o && rm -f *.mod && rm -f compinfo && cd xdrf && make clean
70 # rm -f *.o && rm -f *.mod && rm ${EXE_FILE} && rm -f compinfo && cd xdrf && make clean
73 clust_data.o: clust_data.f90
74 ${FC} ${FFLAGS} ${CPPFLAGS} clust_data.f90
76 wham_data.o: ${WHAM_FILE}/wham_data.f90
77 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/wham_data.f90
80 names.o: ${UNRES_DATA_FILE}/names.f90
81 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/names.f90
83 io_units.o: ${UNRES_DATA_FILE}/io_units.f90
84 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/io_units.f90
86 calc_data.o: ${UNRES_DATA_FILE}/calc_data.f90
87 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/calc_data.f90
89 compare_data.o: ${UNRES_DATA_FILE}/compare_data.f90
90 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/compare_data.f90
92 control_data.o: ${UNRES_DATA_FILE}/control_data.f90
93 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/control_data.f90
95 energy_data.o: ${UNRES_DATA_FILE}/energy_data.f90
96 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/energy_data.f90
98 geometry_data.o: ${UNRES_DATA_FILE}/geometry_data.f90
99 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/geometry_data.f90
101 map_data.o: ${UNRES_DATA_FILE}/map_data.f90
102 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/map_data.f90
104 MCM_data.o: ${UNRES_DATA_FILE}/MCM_data.f90
105 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/MCM_data.f90
107 MD_data.o: ${UNRES_DATA_FILE}/MD_data.f90
108 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/MD_data.f90
110 minim_data.o: ${UNRES_DATA_FILE}/minim_data.f90
111 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/minim_data.f90
113 MPI_data.o: ${UNRES_DATA_FILE}/MPI_data.f90
114 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/MPI_data.f90
116 comm_local.o: ${UNRES_DATA_FILE}/comm_local.f90
117 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_DATA_FILE}/comm_local.f90
119 math.o: ${UNRES_FILE}/math.f90
120 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/math.f90
122 geometry.o: ${UNRES_FILE}/geometry.f90
123 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/geometry.f90
125 io_base.o: ${UNRES_FILE}/io_base.f90
126 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io_base.f90
128 energy.o: ${UNRES_FILE}/energy.f90
129 ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/energy.f90
131 control.o: ${UNRES_FILE}/control.F90
132 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/control.F90
134 io_config.o: ${UNRES_FILE}/io_config.f90
135 ${FC} ${FFLAGS2} ${CPPFLAGS} ${UNRES_FILE}/io_config.f90
137 regularize.o: ${UNRES_FILE}/regularize.f90
138 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/regularize.f90
141 proc_proc.o: proc_proc.c
142 ${CC} ${CPPFLAGS} -O -c proc_proc.c
144 io_wham.o: ${WHAM_FILE}/io_wham.f90
145 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/io_wham.f90
147 conform_compar.o: ${WHAM_FILE}/conform_compar.f90
148 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/conform_compar.f90
150 work_partition.o: ${WHAM_FILE}/work_partition.f90
151 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/work_partition.f90
153 probabl.o: probabl.f90
154 ${FC} ${FFLAGS} ${CPPFLAGS} probabl.f90
157 ${FC} ${FFLAGS} ${CPPFLAGS} track.f90
160 ${FC} ${FFLAGS} ${CPPFLAGS} hc.f90
162 io_clust.o: io_clust.f90
163 ${FC} ${FFLAGS} ${CPPFLAGS} io_clust.f90
165 cluster.o: cluster.f90
166 ${FC} ${FFLAGS} ${CPPFLAGS} cluster.f90