FC = ftn
-#OPT = -O3 -ip -mcmodel=medium -shared-intel -dynamic
-OPT = -g -CA -CB -mcmodel=medium -shared-intel -dynamic
-OPT2 = -g -O0 -mcmodel=medium -shared-intel -dynamic
-#OPTE = -c -O3 -ipo -mcmodel=medium -shared-intel -dynamic
-OPTE = ${OPT} -c
-
-FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
-#FFLAGS1 = -c -g -CA -CB -I$(INSTALL_DIR)/include
-#FFLAGS = ${FFLAGS1}
-FFLAGS1 = ${FFLAGS}
-FFLAGS2 = -c ${OPT2} -I$(INSTALL_DIR)/include
-FFLAGSE = ${OPTE} -I$(INSTALL_DIR)/include
-#FFLAGSE = ${FFLAGS}
-
+OPT = -O3 -ip -mcmodel=medium -shared-intel -dynamic
+OPTE = -c -O3 -ipo -mcmodel=medium -shared-intel -dynamic
+OPT2 = -O2 -ip -mcmodel=medium -shared-intel -dynamic
+OPT0 = -g -O0 -mcmodel=medium -shared-intel -dynamic
+OPT1 = -g -CA -CB -mcmodel=medium -shared-intel -dynamic
+
+FFLAGS = -c ${OPT}
+FFLAGSE = -c ${OPTE}
+FFLAGS2 = -c ${OPT2}
+FFLAGS1 = -c ${OPT1}
+FFLAGS0 = -c ${OPT0}
LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
#/opt/cray/mpt/7.3.2/gni/mpich-intel/15.0/lib/libmpich.a
matmult.o readrtns_CSA.o parmread.o gen_rand_conf.o printmat.o map.o \
pinorm.o randgens.o rescode.o intcor.o timing.o misc.o \
cart2intgrad.o checkder_p.o contact_cp econstr_local.o econstr_qlike.o \
- econstrq-PMF.o PMFprocess.o energy_p_new_barrier.o make_xx_list \
+ econstrq-PMF.o PMFprocess.o energy_p_new_barrier.o make_xx_list.o \
energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
- cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
+ cored.o rmdd.o geomout.o readpdb-mult.o int_from_cart.o regularize.o \
+ thread.o fitsq.o mcm.o \
mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o \
eigen.o blas.o add.o entmcm.o minim_mcmf.o \
together.o csa.o minim_jlee.o shift.o diff12.o bank.o newconf.o ran.o \
${FC} ${FFLAGS} cinfo.f
${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
+E0LL2Y_DFA: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+ -DSPLITELE -DLANG0 -DFOURBODY -DDFA
+E0LL2Y_DFA: BIN = ~/bin/unres_ifort_MPICH-okeanos_E0LL2Y-HCD-DFA.exe
+E0LL2Y_DFA: ${object} dfa.o xdrf/libxdrf.a
+ gcc -o compinfo compinfo.c
+ ./compinfo | true
+ ${FC} ${FFLAGS} cinfo.f
+ ${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}
+
+E0LL2Y5D: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+ -DSPLITELE -DLANG0 -DFIVEDIAG
+E0LL2Y5D: BIN = ~/bin/unres_ifort_MPICH-okeanos_E0LL2Y-HCD5.exe
+E0LL2Y5D: ${object} xdrf/libxdrf.a
+ gcc -o compinfo compinfo.c
+ ./compinfo | true
+ ${FC} ${FFLAGS} cinfo.f
+ ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
+
+E0LL2Y5D_DFA: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+ -DSPLITELE -DLANG0 -DFIVEDIAG -DDFA
+E0LL2Y5D_DFA: BIN = ~/bin/unres_ifort_MPICH-okeanos_E0LL2Y-HCD5-DFA.exe
+E0LL2Y5D_DFA: ${object} dfa.o xdrf/libxdrf.a
+ gcc -o compinfo compinfo.c
+ ./compinfo | true
+ ${FC} ${FFLAGS} cinfo.f
+ ${FC} ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}
+
NEWCORR: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-DSPLITELE -DLANG0 -DNEWCORR -DCORRCD #-DFOURBODY #-DMYGAUSS #-DTIMING
NEWCORR: BIN = ~/bin/unres_ifort_MPICH-okeanos_SC-HCD.exe
NEWCORR5D: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
-DSPLITELE -DLANG0 -DNEWCORR -DCORRCD -DFIVEDIAG -DLBFGS #-DMYGAUSS #-DTIMING
-NEWCORR5D: BIN = ~/bin/unres_ifort_MPICH-okeanos_SC-HCD5-l.exe
+NEWCORR5D: BIN = ~/bin/unres_ifort_MPICH-okeanos_SC-HCD5.exe
NEWCORR5D: ${object_lbfgs} ${object} fdisy.o fdiag.o machpd.o kinetic_CASC.o xdrf/libxdrf.a
gcc -o compinfo compinfo.c
./compinfo | true
${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
djacob.o: djacob.f
- ${FC} ${FFLAGS2} djacob.f
+ ${FC} ${FFLAGS0} djacob.f
matmult.o: matmult.f
${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
readpdb.o : readpdb.F
- ${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
+ ${FC} ${FFLAGS0} ${CPPFLAGS} readpdb.F
+
+readpdb-mult.o : readpdb-mult.F
+ ${FC} ${FFLAGS0} ${CPPFLAGS} readpdb-mult.F
sumsld.o : sumsld.f
${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
${FC} ${FFLAGS1} add.f
eigen.o : eigen.f
- ${FC} ${FFLAGS2} eigen.f
+ ${FC} ${FFLAGS0} eigen.f
dfa.o: dfa.F
- ${FC} ${FFLAGS2} dfa.F
+ ${FC} ${CPPFLAGS} ${FFLAGS} dfa.F
+
+rmscalc.o: rmscalc.F
+ ${FC} ${FFLAGS2} ${CPPFLAGS} rmscalc.F
proc_proc.o: proc_proc.c
${CC} ${CFLAGS} proc_proc.c