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
26 UNRES_FILE= ../unres_MD-M
30 #w_compar_data.o w_comm_local.o
32 objects_unres = xdrf/*.o names.o io_units.o control_data.o calc_data.o \
33 compare_data.o control_data.o minim_data.o MD_data.o\
34 energy_data.o geometry_data.o MPI_data.o MCM_data.o comm_local.o math.o geometry.o \
35 io_base.o energy.o regularize.o control.o io_config.o # compare.o
37 #compare_data.o control_data.o minim_data.o CSA_data.o
38 objects_wham = wham_data.o conform_compar.o io_wham.o work_partition.o
40 objects = track.o hc.o io_clust.o probabl.o cluster.o
43 @echo "Specify force field: GAB or E0LL2Y"
48 #objects = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
49 matmult.o readrtns.o pinorm.o rescode.o intcor.o timing.o misc.o \
50 geomout.o readpdb.o read_coords.o parmread.o probabl.o fitsq.o hc.o \
51 track.o wrtclust.o srtclust.o noyes.o contact.o printmat.o \
52 int_from_cart1.o energy_p_new.o icant.o proc_proc.o work_partition.o \
53 setup_var.o read_ref_str.o gnmr1.o permut.o
55 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
56 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DCLUSTER
57 GAB: EXE_FILE = ../../bin/cluster_GAB_F90_EL.exe
58 GAB: ${data} ${objects_unres} ${objects_wham} ${objects}
59 $(FC) ${OPT} ${data} ${objects_unres} ${objects_wham} ${objects} -o ${EXE_FILE}
60 # $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD-mult_MPICH-GAB.exe
62 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
63 -DSPLITELE -DLANG0 -DCLUSTER
64 E0LL2Y: EXE_FILE = ../../bin/cluster_E0LL2Y_F90_EL.exe
65 E0LL2Y: ${data} ${objects_unres} ${objects_wham} ${objects}
66 $(FC) ${OPT} ${data} ${objects_unres} ${objects_wham} ${objects} -o ${EXE_FILE}
67 # $(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD-mult_MPICH-E0LL2Y.exe
73 rm -f *.o && rm -f *.mod && rm -f compinfo && cd xdrf && make clean
74 # rm -f *.o && rm -f *.mod && rm ${EXE_FILE} && rm -f compinfo && cd xdrf && make clean
77 clust_data.o: clust_data.f90
78 ${FC} ${FFLAGS} ${CPPFLAGS} clust_data.f90
80 wham_data.o: ${WHAM_FILE}/wham_data.f90
81 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/wham_data.f90
83 w_compar_data.o: w_compar_data.f90
84 ${FC} ${FFLAGS} ${CPPFLAGS} w_compar_data.f90
86 w_comm_local.o: w_comm_local.f90
87 ${FC} ${FFLAGS} ${CPPFLAGS} w_comm_local.f90
90 names.o: ${UNRES_FILE}/names.f90
91 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/names.f90
93 io_units.o: ${UNRES_FILE}/io_units.f90
94 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io_units.f90
96 calc_data.o: ${UNRES_FILE}/calc_data.f90
97 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/calc_data.f90
99 compare_data.o: ${UNRES_FILE}/compare_data.f90
100 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/compare_data.f90
102 control_data.o: ${UNRES_FILE}/control_data.f90
103 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/control_data.f90
105 CSA_data.o: ${UNRES_FILE}/CSA_data.f90
106 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/CSA_data.f90
108 energy_data.o: ${UNRES_FILE}/energy_data.f90
109 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/energy_data.f90
111 geometry_data.o: ${UNRES_FILE}/geometry_data.f90
112 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/geometry_data.f90
114 map_data.o: ${UNRES_FILE}/map_data.f90
115 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/map_data.f90
117 MCM_data.o: ${UNRES_FILE}/MCM_data.f90
118 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MCM_data.f90
120 MD_data.o: ${UNRES_FILE}/MD_data.f90
121 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MD_data.f90
123 minim_data.o: ${UNRES_FILE}/minim_data.f90
124 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/minim_data.f90
126 MPI_data.o: ${UNRES_FILE}/MPI_data.f90
127 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MPI_data.f90
129 REMD_data.o: ${UNRES_FILE}/REMD_data.f90
130 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/REMD_data.f90
132 comm_local.o: ${UNRES_FILE}/comm_local.f90
133 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/comm_local.f90
135 prng_32.o: ${UNRES_FILE}/prng_32.f90
136 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/prng_32.f90
138 math.o: ${UNRES_FILE}/math.f90
139 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/math.f90
141 random.o: ${UNRES_FILE}/random.f90
142 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/random.f90
144 geometry.o: ${UNRES_FILE}/geometry.f90
145 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/geometry.f90
147 md_calc.o: ${UNRES_FILE}/md_calc.f90
148 ${FC} ${FFLAGS1} ${CPPFLAGS} ${UNRES_FILE}/md_calc.f90
150 io_base.o: ${UNRES_FILE}/io_base.f90
151 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io_base.f90
153 energy.o: ${UNRES_FILE}/energy.f90
154 ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/energy.f90
156 check_bond.o: ${UNRES_FILE}/check_bond.f90
157 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/check_bond.f90
159 control.o: ${UNRES_FILE}/control.f90
160 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/control.f90
162 io_config.o: ${UNRES_FILE}/io_config.f90
163 ${FC} ${FFLAGS2} ${CPPFLAGS} ${UNRES_FILE}/io_config.f90
165 MPI.o: ${UNRES_FILE}/MPI.f90
166 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MPI.f90
168 minim.o: ${UNRES_FILE}/minim.f90
169 ${FC} ${FFLAGS1} ${CPPFLAGS} ${UNRES_FILE}/minim.f90
171 regularize.o: ${UNRES_FILE}/regularize.f90
172 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/regularize.f90
174 compare.o: ${UNRES_FILE}/compare.f90
175 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/compare.f90
177 map.o: ${UNRES_FILE}/map.f90
178 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/map.f90
180 muca_md.o: ${UNRES_FILE}/muca_md.f90
181 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/muca_md.f90
183 REMD.o: ${UNRES_FILE}/REMD.f90
184 ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/REMD.f90
186 MCM_MD.o: ${UNRES_FILE}/MCM_MD.f90
187 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MCM_MD.f90
189 io.o: ${UNRES_FILE}/io.f90
190 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/io.f90
192 MD.o: ${UNRES_FILE}/MD.f90
193 ${FC} ${FFLAGSE} ${CPPFLAGS} ${UNRES_FILE}/MD.f90
195 MREMD.o: ${UNRES_FILE}/MREMD.f90
196 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/MREMD.f90
198 CSA.o: ${UNRES_FILE}/CSA.f90
199 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/CSA.f90
201 unres.o: ${UNRES_FILE}/unres.f90
202 ${FC} ${FFLAGS} ${CPPFLAGS} ${UNRES_FILE}/unres.f90
205 proc_proc.o: proc_proc.c
206 ${CC} ${CPPFLAGS} -O -c proc_proc.c
208 io_database.o: io_database.f90
209 ${FC} ${FFLAGS} ${CPPFLAGS} io_database.f90
211 io_wham.o: ${WHAM_FILE}/io_wham.f90
212 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/io_wham.f90
214 conform_compar.o: ${WHAM_FILE}/conform_compar.f90
215 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/conform_compar.f90
217 enecalc.o: enecalc.f90
218 ${FC} ${FFLAGS} ${CPPFLAGS} enecalc.f90
220 wham_calc.o: wham_calc.f90
221 ${FC} ${FFLAGS} ${CPPFLAGS} wham_calc.f90
223 work_partition.o: ${WHAM_FILE}/work_partition.f90
224 ${FC} ${FFLAGS} ${CPPFLAGS} ${WHAM_FILE}/work_partition.f90
227 ${FC} ${FFLAGS} ${CPPFLAGS} wham.f90
229 probabl.o: probabl.f90
230 ${FC} ${FFLAGS} ${CPPFLAGS} probabl.f90
233 ${FC} ${FFLAGS} ${CPPFLAGS} track.f90
236 ${FC} ${FFLAGS} ${CPPFLAGS} hc.f90
238 io_clust.o: io_clust.f90
239 ${FC} ${FFLAGS} ${CPPFLAGS} io_clust.f90
241 cluster.o: cluster.f90
242 ${FC} ${FFLAGS} ${CPPFLAGS} cluster.f90