corrections

[unres.git] / source / cluster / wham / src-HCD / Makefile-MPICH-ifort-okeanos

diff --git a/source/cluster/wham/src-HCD/Makefile-MPICH-ifort-okeanos b/source/cluster/wham/src-HCD/Makefile-MPICH-ifort-okeanos
index f3ff018..425bed2 100644 (file)
--- a/source/cluster/wham/src-HCD/Makefile-MPICH-ifort-okeanos
+++ b/source/cluster/wham/src-HCD/Makefile-MPICH-ifort-okeanos
@@ -18,10 +18,10 @@ 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  \
        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"
@@ -77,6 +77,17 @@ NEWCORR: ${object} xdrf/libxdrf.a
        ${FC} ${FFLAGS} cinfo.f
        $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
 
+NEWCORR5D: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \
+       -DCORRCD -DCLUST -DSPLITELE -DLANG0 -DNEWCORR -DFIVEDIAG
+#-DCLUST -DSPLITELE -DLANG0 -DNEWCORR
+NEWCORR5D: BIN = ~/bin/unres_clustMD_ifort_MPICH-okeanos_SC-HCD5.exe
+#NEWCORR: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-fouriertor-test.exe
+NEWCORR5D: ${object} xdrf/libxdrf.a
+       gcc -o compinfo compinfo.c
+       ./compinfo | true
+       ${FC} ${FFLAGS} cinfo.f
+       $(FC) ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
+
 NEWCORR_DFA: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \
        -DCORRCD -DCLUST -DSPLITELE -DLANG0 -DNEWCORR -DDFA
 #-DCLUST -DSPLITELE -DLANG0 -DNEWCORR
@@ -88,6 +99,17 @@ NEWCORR_DFA: ${object} dfa.o xdrf/libxdrf.a
        ${FC} ${FFLAGS} cinfo.f
        $(FC) ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}
 
+NEWCORR5D_DFA: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI -DPROCOR \
+       -DCORRCD -DCLUST -DSPLITELE -DLANG0 -DNEWCORR -DDFA
+#-DCLUST -DSPLITELE -DLANG0 -DNEWCORR
+NEWCORR5D_DFA: BIN = ~/bin/unres_clustMD_ifort_MPICH-okeanos_SC-HCD5-DFA.exe
+#NEWCORR: BIN = ~/bin/unres_clustMD-mult_ifort_MPICH_NEWCORR-fouriertor-test.exe
+NEWCORR5D_DFA: ${object} dfa.o xdrf/libxdrf.a
+       gcc -o compinfo compinfo.c
+       ./compinfo | true
+       ${FC} ${FFLAGS} cinfo.f
+       $(FC) ${OPT} ${object} dfa.o cinfo.o ${LIBS} -o ${BIN}
+
 xdrf/libxdrf.a:
        cd xdrf && make