BIN = ~/bin
FC = ftn
-OPT = -mcmodel=medium -shared-intel -O3 -dynamic
+OPT = -mcmodel=medium -shared-intel -O2 -dynamic
+OPTE = -mcmodel=medium -shared-intel -O3 -dynamic
#OPT = -O3 -intel-static -mcmodel=medium
#OPT = -O3 -ip -w
#OPT = -g -CB -mcmodel=medium -shared-intel -dynamic
FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
+FFLAGSE = ${OPTE} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
.f.o:
cxread.o \
enecalc1.o \
energy_p_new.o \
+ boxshift.o \
gnmr1.o \
initialize_p.o \
molread_zs.o \
readrtns.o \
read_constr_homology.o \
arcos.o \
- cartder.o \
cartprint.o \
chainbuild.o \
geomout.o \
objects_compar = \
readrtns_compar.o \
- readpdb.o fitsq.o contact.o \
+ readpdb-mult.o fitsq.o contact.o \
elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
$(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_E0LL2Y-HCD-DFA.exe
-NEWCORR: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DFOURBODY -DPGI -DISNAN -DAMD64 -DWHAM
+NEWCORR: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM
NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
gcc -o compinfo compinfo.c
./compinfo
$(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_SC-HCD.exe
+NEWCORR5D: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DPGI -DISNAN -DAMD64 -DWHAM -DFIVEDIAG
+NEWCORR5D: ${objects} ${objects_compar} xdrf/libxdrf.a
+ gcc -o compinfo compinfo.c
+ ./compinfo
+ ${FC} -c ${FFLAGS} cinfo.f
+ $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
+ ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_SC-HCD5.exe
+
NEWCORR_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DDFA -DPGI -DISNAN -DAMD64 -DWHAM -DDFA
NEWCORR_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
gcc -o compinfo compinfo.c
$(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_SC-HCD-DFA-D.exe
+NEWCORR5D_DFA: CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DNEWCORR -DCORRCD -DDFA -DPGI -DISNAN -DAMD64 -DWHAM -DFIVEDIAG -DDFA
+NEWCORR5D_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
+ gcc -o compinfo compinfo.c
+ ./compinfo
+ ${FC} -c ${FFLAGS} cinfo.f
+ $(FC) ${OPT} ${objects} ${objects_compar} dfa.o cinfo.o \
+ ${LIBS} -o ${BIN}/wham_ifort_MPICH-okeanos_SC-HCD5-DFA.exe
+
xdrf/libxdrf.a:
cd xdrf && make
+energy_p_new.o: energy_p_new.F
+ ${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F
+
+wham_calc1.o: wham_calc1.F
+ ${FC} ${FFLAGSE} ${CPPFLAGS} wham_calc1.F
clean:
/bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean