X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD%2FMakefile_MPICH_ifort-okeanos;h=c5e313374cba81f235f1c067d1e61b69030949fd;hb=809cbbbaf17b645d881fe5c61387d09109acdf19;hp=01955ffc280ecaaa6125f710be2a4dff79bada3a;hpb=1346fb3959c2eb0a370b11bc6ccad5e4cca27ec9;p=unres.git

diff --git a/source/wham/src-HCD/Makefile_MPICH_ifort-okeanos b/source/wham/src-HCD/Makefile_MPICH_ifort-okeanos
index 01955ff..c5e3133 100644
--- a/source/wham/src-HCD/Makefile_MPICH_ifort-okeanos
+++ b/source/wham/src-HCD/Makefile_MPICH_ifort-okeanos
@@ -1,10 +1,12 @@
 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:
@@ -20,6 +22,7 @@ objects = \
 	cxread.o \
 	enecalc1.o \
 	energy_p_new.o \
+	boxshift.o \
 	gnmr1.o \
 	initialize_p.o \
 	molread_zs.o \
@@ -27,7 +30,6 @@ objects = \
 	readrtns.o \
 	read_constr_homology.o \
 	arcos.o \
-	cartder.o \
 	cartprint.o \
 	chainbuild.o \
 	geomout.o \
@@ -59,7 +61,7 @@ objects = \
 
 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
@@ -121,7 +123,7 @@ E0LL2Y_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 	$(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
@@ -129,6 +131,14 @@ NEWCORR: ${objects} ${objects_compar} xdrf/libxdrf.a
 	$(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
@@ -137,9 +147,22 @@ NEWCORR_DFA: ${objects} ${objects_compar} dfa.o xdrf/libxdrf.a
 	$(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