corrections

[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 01955ff..b04295c 100644 (file)
--- a/source/wham/src-HCD/Makefile_MPICH_ifort-okeanos
+++ b/source/wham/src-HCD/Makefile_MPICH_ifort-okeanos
@@ -20,6 +20,7 @@ objects = \
        cxread.o \
        enecalc1.o \
        energy_p_new.o \
+       boxshift.o \
        gnmr1.o \
        initialize_p.o \
        molread_zs.o \
@@ -27,7 +28,6 @@ objects = \
        readrtns.o \
        read_constr_homology.o \
        arcos.o \
-       cartder.o \
        cartprint.o \
        chainbuild.o \
        geomout.o \
@@ -121,7 +121,7 @@ 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 +129,14 @@ 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
@@ -137,6 +145,14 @@ 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