3 OPT = -O4 -qarch=qp -qtune=qp -qnocr
4 #OPT = -O3 -qarch=qp -qtune=qp -qdebug=function_trace
5 #OPT = -O -qarch=qp -qtune=qp
6 #OPT = -O0 -C -g -qarch=qp -qtune=qp #-qdebug=function_trace
7 #-Minline=name:scalar2,scalar,transpose2,matvec2,prodmat3 \
8 #-Mprefetch=distance:8,nta
10 #OPT1 = -O -g -qarch=qp -qtune=qp
11 #OPT1 = -O -g -qarch=qp -qtune=qp -qdebug=function_trace
13 #OPT2 = -O2 -qarch=qp -qtune=qp
14 #OPT2 = -O2 -qarch=qp -qtune=qp -qdebug=function_trace
16 #OPTE = -O4 -qarch=qp -qtune=qp
17 #OPTE = -O4 -qarch=qp -qtune=qp
21 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
22 FFLAGS1 = -c ${OPT1} -I$(INSTALL_DIR)/include
23 FFLAGS2 = -c ${OPT2} -I$(INSTALL_DIR)/include
24 FFLAGSE = -c ${OPTE} -I$(INSTALL_DIR)/include
36 ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
39 object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
40 matmult.o readrtns.o parmread.o gen_rand_conf.o printmat.o map.o \
41 pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
42 cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
43 energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
44 cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
45 mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
46 eigen.o blas.o add.o entmcm.o minim_mcmf.o \
47 MP.o compare_s1.o prng_32.o \
48 banach.o rmsd.o elecont.o dihed_cons.o \
49 sc_move.o local_move.o \
50 intcartderiv.o lagrangian_lesyng.o\
51 stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
52 surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
53 q_measure.o gnmr1.o test.o ssMD.o
57 GAB: CPPFLAGS = -WF,-DAIX -WF,-DPROCOR -WF,-DLINUX -WF,-DPGI -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
58 -WF,-DSPLITELE -WF,-DLANG0 -WF,-DCRYST_BOND -WF,-DCRYST_THETA -WF,-DCRYST_SC
59 GAB: BIN = ../../../bin/unres/unres_xlf77_MPI_GAB.exe
60 GAB: ${object} xdrf/libxdrf.a
61 cc -o compinfo compinfo.c
63 ${FC} ${FFLAGS} cinfo.f
64 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
66 4P: CPPFLAGS = -WF,-DAIX, -WF,-DLINUX -WF,-DPGI -WF,-DAMD64 -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
67 -WF,-DSPLITELE -WF,-DLANG0 -WF,-DCRYST_BOND -WF,-DCRYST_THETA -WF,-DCRYST_SC
68 4P-DFA: BIN = ../../../bin/unres/MD/unres_ifort_MPICH2_4P.exe
69 4P-DFA: ${object} xdrf/libxdrf.a
70 cc -o compinfo compinfo.c
72 ${FC} ${FFLAGS} cinfo.f
73 ${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}
75 E0LL2Y: CPPFLAGS = -WF,-DAIX -WF,-DPROCOR -WF,-DLINUX -WF,-DPGI -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
76 -WF,-DSPLITELE -WF,-DLANG0
77 E0LL2Y: BIN = ../../../bin/unres_xlf77_MPI_E0LL2Y.exe
78 E0LL2Y: ${object} xdrf/libxdrf.a
79 cc -o compinfo compinfo.c
81 ${FC} ${FFLAGS} cinfo.f
82 ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
84 GAB-DFA: CPPFLAGS = -WF,-DAIX -WF,-DPROCOR -WF,-DLINUX -WF,-DPGI -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
85 -WF,-DSPLITELE -WF,-DLANG0 -WF,-DCRYST_BOND -WF,-DCRYST_THETA -WF,-DCRYST_SC, -WF,-DDFA
86 GAB-DFA: BIN = ../../../bin/unres/MD/unres_ifort_MPICH2_GAB-DFA.exe
87 GAB-DFA: ${object} dfa.o xdrf/libxdrf.a
88 cc -o compinfo compinfo.c
90 ${FC} ${FFLAGS} cinfo.f
91 ${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}
93 4P-DFA: CPPFLAGS = -WF,-DAIX, -WF,-DLINUX -WF,-DPGI -WF,-DAMD64 -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
94 -WF,-DSPLITELE -WF,-DLANG0 -WF,-DCRYST_BOND -WF,-DCRYST_THETA -WF,-DCRYST_SC -WF,-DDFA
95 4P-DFA: BIN = ../../../bin/unres/MD/unres_ifort_MPICH2_4P-DFA.exe
96 4P-DFA: ${object} dfa.o xdrf/libxdrf.a
97 cc -o compinfo compinfo.c
99 ${FC} ${FFLAGS} cinfo.f
100 ${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}
102 E0LL2Y-DFA: CPPFLAGS = -WF,-DAIX -WF,-DPROCOR -WF,-DLINUX -WF,-DPGI -WF,-DUNRES -WF,-DISNAN -WF,-DMP -WF,-DMPI \
103 -WF,-DSPLITELE -WF,-DLANG0 -WF,-DDFA
104 #E0LL2Y-DFA: BIN = ../../../bin/unres/MD/unres_ifort_MPICH2_E0LL2Y.exe
105 E0LL2Y-DFA: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_E0LL2Y-DFA.exe
106 E0LL2Y-DFA: ${object} dfa.o xdrf/libxdrf.a
107 cc -o compinfo compinfo.c
109 ${FC} ${FFLAGS} cinfo.f
110 ${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}
118 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
121 ${FC} ${FFLAGS} ${CPPFLAGS} test.F
123 chainbuild.o: chainbuild.F
124 ${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
127 ${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
129 parmread.o : parmread.F
130 ${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
133 ${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
135 cartder.o : cartder.F
136 ${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
138 readpdb.o : readpdb.F
139 ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
142 ${FC} ${FFLAGS2} ${CPPFLAGS} -vec-report2 sumsld.f
145 ${FC} ${FFLAGS2} ${CPPFLAGS} cored.f
148 ${FC} ${FFLAGS2} ${CPPFLAGS} rmdd.f
150 energy_p_new_barrier.o : energy_p_new_barrier.F
151 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
153 gradient_p.o : gradient_p.F
154 ${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
156 energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
157 ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
159 lagrangian_lesyng.o : lagrangian_lesyng.F
160 ${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
162 MD_A-MTS.o : MD_A-MTS.F
163 ${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
166 ${FC} ${FFLAGS1} blas.f
169 ${FC} ${FFLAGS1} add.f
172 ${FC} ${FFLAGS2} eigen.f
174 proc_proc.o: proc_proc.c
175 ${CC} ${CFLAGS} proc_proc.c