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pdbread-mult
[unres.git]
/
source
/
wham
/
src-HCD-5D
/
Makefile_MPICH_ifort-okeanos
diff --git
a/source/wham/src-HCD-5D/Makefile_MPICH_ifort-okeanos
b/source/wham/src-HCD-5D/Makefile_MPICH_ifort-okeanos
index
5280f0a
..
c5e3133
100644
(file)
--- a/
source/wham/src-HCD-5D/Makefile_MPICH_ifort-okeanos
+++ b/
source/wham/src-HCD-5D/Makefile_MPICH_ifort-okeanos
@@
-1,10
+1,12
@@
BIN = ~/bin
FC = ftn
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 = -O3 -intel-static -mcmodel=medium
#OPT = -O3 -ip -w
-OPT = -g -CB -mcmodel=medium -shared-intel -dynamic
+#OPT = -g -CB -mcmodel=medium -shared-intel -dynamic
FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
+FFLAGSE = ${OPTE} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
.f.o:
LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
.f.o:
@@
-20,6
+22,7
@@
objects = \
cxread.o \
enecalc1.o \
energy_p_new.o \
cxread.o \
enecalc1.o \
energy_p_new.o \
+ boxshift.o \
gnmr1.o \
initialize_p.o \
molread_zs.o \
gnmr1.o \
initialize_p.o \
molread_zs.o \
@@
-27,7
+30,6
@@
objects = \
readrtns.o \
read_constr_homology.o \
arcos.o \
readrtns.o \
read_constr_homology.o \
arcos.o \
- cartder.o \
cartprint.o \
chainbuild.o \
geomout.o \
cartprint.o \
chainbuild.o \
geomout.o \
@@
-59,7
+61,7
@@
objects = \
objects_compar = \
readrtns_compar.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
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
@@
-156,6
+158,11
@@
NEWCORR5D_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
xdrf/libxdrf.a:
cd xdrf && make
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
clean:
/bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean