1 ###################################################################
3 # 2015 writed by Emilia Lubecka
5 INSTALL_DIR = /users/software/mpich2-1.4.1p1_intel
7 FC= ${INSTALL_DIR}/bin/mpif90
11 FFLAGS = -fpp -c ${OPT}
13 FFLAGS1 = -fpp -c -g -CA -CB
14 FFLAGS2 = -fpp -c -g -O0
15 FFLAGSE = -fpp -c ${OPT}
22 @echo "Specify force field: GAB, 4P or E0LL2Y; or NOMPI"
26 ${FC} ${FFLAGS} ${CPPFLAGS} $*.f90
28 objects = ../xdrf/*.o names.o io_units.o calc_data.o compare_data.o control_data.o \
29 CSA_data.o energy_data.o geometry_data.o map_data.o \
30 MCM_data.o MD_data.o minim_data.o MPI_data.o REMD_data.o comm_local.o \
31 prng_32.o math.o random.o geometry.o md_calc.o io_base.o energy.o check_bond.o muca_md.o\
32 control.o io_config.o MPI.o minim.o \
33 regularize.o compare.o map.o REMD.o MCM_MD.o io.o \
34 MD.o MREMD.o CSA.o unres.o
39 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
40 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
41 GAB: EXE_FILE = ../../bin/unres_GAB_F90_EL.exe
43 cc -o compinfo compinfo.c
45 ${FC} ${FFLAGS} cinfo.f90
46 ${FC} ${OPT} ${objects} cinfo.o -o ${EXE_FILE}
48 4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
49 -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
50 4P: EXE_FILE = ../../bin/unres_4P_F90_EL.exe
52 cc -o compinfo compinfo.c
54 ${FC} ${FFLAGS} cinfo.f90
55 ${FC} ${OPT} ${objects} cinfo.o -o ${EXE_FILE}
57 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
59 E0LL2Y: EXE_FILE = ../../bin/unres_E0LL2Y_F90_EL.exe
61 cc -o compinfo compinfo.c
63 ${FC} ${FFLAGS} cinfo.f90
64 ${FC} ${OPT} ${objects} cinfo.o -o ${EXE_FILE}
71 rm -f *.o && rm -f *.mod && rm -f compinfo && cd ../xdrf && make clean
75 ${FC} ${FFLAGS} ${CPPFLAGS} names.f90
77 io_units.o: io_units.f90
78 ${FC} ${FFLAGS} ${CPPFLAGS} io_units.f90
80 calc_data.o: calc_data.f90
81 ${FC} ${FFLAGS} ${CPPFLAGS} calc_data.f90
83 compare_data.o: compare_data.f90
84 ${FC} ${FFLAGS} ${CPPFLAGS} compare_data.f90
86 control_data.o: control_data.f90
87 ${FC} ${FFLAGS} ${CPPFLAGS} control_data.f90
89 CSA_data.o: CSA_data.f90
90 ${FC} ${FFLAGS} ${CPPFLAGS} CSA_data.f90
92 energy_data.o: energy_data.f90
93 ${FC} ${FFLAGS} ${CPPFLAGS} energy_data.f90
95 geometry_data.o: geometry_data.f90
96 ${FC} ${FFLAGS} ${CPPFLAGS} geometry_data.f90
98 map_data.o: map_data.f90
99 ${FC} ${FFLAGS} ${CPPFLAGS} map_data.f90
101 MCM_data.o: MCM_data.f90
102 ${FC} ${FFLAGS} ${CPPFLAGS} MCM_data.f90
104 MD_data.o: MD_data.f90
105 ${FC} ${FFLAGS} ${CPPFLAGS} MD_data.f90
107 minim_data.o: minim_data.f90
108 ${FC} ${FFLAGSm} ${CPPFLAGS} minim_data.f90
110 MPI_data.o: MPI_data.f90
111 ${FC} ${FFLAGS} ${CPPFLAGS} MPI_data.f90
113 REMD_data.o: REMD_data.f90
114 ${FC} ${FFLAGS} ${CPPFLAGS} REMD_data.f90
116 comm_local.o: comm_local.f90
117 ${FC} ${FFLAGS} ${CPPFLAGS} comm_local.f90
119 prng_32.o: prng_32.f90
120 ${FC} ${FFLAGS} ${CPPFLAGS} prng_32.f90
123 ${FC} ${FFLAGS} ${CPPFLAGS} math.f90
126 ${FC} ${FFLAGS} ${CPPFLAGS} random.f90
128 geometry.o: geometry.f90
129 ${FC} ${FFLAGS} ${CPPFLAGS} geometry.f90
131 md_calc.o: md_calc.f90
132 ${FC} ${FFLAGS1} ${CPPFLAGS} md_calc.f90
134 io_base.o: io_base.f90
135 ${FC} ${FFLAGS} ${CPPFLAGS} io_base.f90
138 ${FC} ${FFLAGSE} ${CPPFLAGS} energy.f90
140 check_bond.o: check_bond.f90
141 ${FC} ${FFLAGS} ${CPPFLAGS} check_bond.f90
143 control.o: control.f90
144 ${FC} ${FFLAGS} ${CPPFLAGS} control.f90
146 io_config.o: io_config.f90
147 ${FC} ${FFLAGS2} ${CPPFLAGS} io_config.f90
150 ${FC} ${FFLAGS} ${CPPFLAGS} MPI.f90
153 ${FC} ${FFLAGS1} ${CPPFLAGS} minim.f90
155 regularize.o: regularize.f90
156 ${FC} ${FFLAGS} ${CPPFLAGS} regularize.f90
158 compare.o: compare.f90
159 ${FC} ${FFLAGS} ${CPPFLAGS} compare.f90
162 ${FC} ${FFLAGS} ${CPPFLAGS} map.f90
164 muca_md.o: muca_md.f90
165 ${FC} ${FFLAGS} ${CPPFLAGS} muca_md.f90
168 ${FC} ${FFLAGSE} ${CPPFLAGS} REMD.f90
171 ${FC} ${FFLAGS} ${CPPFLAGS} MCM_MD.f90
174 ${FC} ${FFLAGS} ${CPPFLAGS} io.f90
177 ${FC} ${FFLAGSE} ${CPPFLAGS} MD.f90
180 ${FC} ${FFLAGS} ${CPPFLAGS} MREMD.f90
183 ${FC} ${FFLAGS} ${CPPFLAGS} CSA.f90
186 ${FC} ${FFLAGS} ${CPPFLAGS} unres.f90