X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-HCD-5D%2FMakefile-MPICH-ifort-okeanos;h=c2d84d849c761019f76902412dbd5db6d3ff6398;hb=915aca0187c1157b991cb5f13960e82e3007cca6;hp=d1e64a7707b125e596ca93c057c5b5ab36c49b22;hpb=05c1789531ec3f44dfebf41b426cb1204329e7ff;p=unres.git

diff --git a/source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort-okeanos b/source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort-okeanos
index d1e64a7..c2d84d8 100644
--- a/source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort-okeanos
+++ b/source/cluster/wham/src-HCD-5D/Makefile-MPICH-ifort-okeanos
@@ -1,8 +1,11 @@
 #INSTALL_DIR = /opt/cray/mpt/7.3.2/gni/mpich-intel/15.0
 FC = ftn
-#OPT = -O3 -ip -mcmodel=medium -shared-intel -dynamic
-OPT = -CB -g -mcmodel=medium -shared-intel -dynamic
+OPT = -O2 -ip -mcmodel=medium -shared-intel -dynamic
+OPTE = -O3 -ip -mcmodel=medium -shared-intel -dynamic
+#OPT = -CB -g -mcmodel=medium -shared-intel -dynamic
+#OPTE = ${OPT}
 FFLAGS =  ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
+FFLAGSE =  ${OPTE} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
 
 .c.o:
@@ -16,12 +19,12 @@ LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
 
 object = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
 	matmult.o readrtns.o pinorm.o rescode.o intcor.o timing.o misc.o \
-	geomout.o readpdb.o read_coords.o parmread.o probabl.o fitsq.o hc.o  \
+	geomout.o readpdb-mult.o read_coords.o parmread.o probabl.o fitsq.o hc.o  \
 	track.o wrtclust.o srtclust.o noyes.o contact.o printmat.o \
-	int_from_cart1.o energy_p_new.o icant.o proc_proc.o work_partition.o \
-	setup_var.o read_ref_str.o gnmr1.o permut.o seq2chains.o \
-	chain_symmetry.o iperm.o rmscalc.o rmsnat.o TMscore.o ssMD.o refsys.o \
-	read_constr_homology.o
+	int_from_cart1.o energy_p_new.o boxshift.o icant.o proc_proc.o \
+	work_partition.o setup_var.o read_ref_str.o gnmr1.o permut.o \
+	seq2chains.o chain_symmetry.o iperm.o rmscalc.o rmsnat.o TMscore.o \
+	ssMD.o refsys.o read_constr_homology.o
 
 all: no_option
 	@echo "Specify force field: GAB, 4P, E0LL2Y or NEWCORR"
@@ -113,6 +116,8 @@ NEWCORR5D_DFA: ${object} dfa.o xdrf/libxdrf.a
 xdrf/libxdrf.a:
 	cd xdrf && make
 
+energy_p_new.o: energy_p_new.F
+	${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new.F
 
 clean:
 	/bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean