readpdb-mult

[unres.git] / source / wham / src-HCD / Makefile_MPICH_ifort-okeanos

diff --git a/source/wham/src-HCD/Makefile_MPICH_ifort-okeanos b/source/wham/src-HCD/Makefile_MPICH_ifort-okeanos
index e667382..c5e3133 100644 (file)
--- 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
@@ -156,6 +158,11 @@ NEWCORR5D_DFA: ${objects} ${objects_compar} 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
+
+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