boxshift &readpdb

[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..d1e64a7 100644 (file)
--- a/source/cluster/wham/src-HCD/Makefile-MPICH-ifort-okeanos
+++ b/source/cluster/wham/src-HCD/Makefile-MPICH-ifort-okeanos
@@ -1,7 +1,7 @@
 #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 = -O3 -ip -mcmodel=medium -shared-intel -dynamic
+OPT = -CB -g -mcmodel=medium -shared-intel -dynamic
 FFLAGS =  ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
 LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
 
@@ -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