X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2FMakefile;h=ef1a719d68d0cf61f694386d695bbd15134da263;hb=76bcdcd9a8e98434a28acfbd1654c7e78c54b2f4;hp=35006b39166372bddf4d112db4175a26f865e86f;hpb=2acc9917f7452c3a59a242e6033bea16f846cbfe;p=unres.git

diff --git a/source/unres/src_MD-M/Makefile b/source/unres/src_MD-M/Makefile
index 35006b3..ef1a719 100644
--- a/source/unres/src_MD-M/Makefile
+++ b/source/unres/src_MD-M/Makefile
@@ -1,21 +1,11 @@
-CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI \
-           -DPGI -DSPLITELE -DISNAN -DAMD64 \
-           -DPROCOR -DLANG0 \
-	-DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DSCCORPDB 
-## -DPROCOR
-## -DMOMENT
-#-DCO_BIAS
-#-DCRYST_TOR
-#-DDEBUG
-
 #INSTALL_DIR = /usr/local/mpich-1.2.0
 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
 #
 #FC= /usr/local/opt/intel/compiler60/ia32/bin/ifc
 FC= ifort
 
-#OPT =  -O3 -ip -w
-OPT = -g -CB
+OPT =  -O3 -ip -w
+#OPT = -g -CB
 #OPT = -g
 CFLAGS = -DSGI -c
 
@@ -24,16 +14,16 @@ FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
 FFLAGS2 = -c -w -O0 -I$(INSTALL_DIR)/include
 FFLAGSE = -c -w -O3 -ipo -ipo_obj  -opt_report -I$(INSTALL_DIR)/include
 
-BIN = ../../../bin/unres/MD-M/unres_Tc_procor_oldparm_em64-D-symetr.exe
+#BIN = ../../../bin/unres/MD-M/unres_Tc_procor_newparm_em64-D-symetr.exe
 #LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich xdrf/libxdrf.a
 #LIBS = -L$(INSTALL_DIR)/lib_ifort -lmpich xdrf/libxdrf.a
-LIBS = -L$(INSTALL_DIR)/lib -lmpich ../../lib/xdrf_em64/libxdrf.a -g -d2 -CA -CB
+LIBS = -L$(INSTALL_DIR)/lib -lmpich ../../lib/xdrf_em64/libxdrf.a 
 
 ARCH = LINUX
 PP = /lib/cpp -P
 
 
-all: unres
+all: GAB
 
 .SUFFIXES: .F
 .F.o:
@@ -55,13 +45,29 @@ object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
         intcartderiv.o lagrangian_lesyng.o\
 	stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
         surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
-	q_measure.o gnmr1.o
+	q_measure.o gnmr1.o ssMD.o
+
+GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DAMD64 \
+	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC\
+        -DSCCORPDB
+GAB: BIN = ../../../bin/unres/MD-M/unres_ifort_MPICH_GAB.exe
+GAB: ${object} ../../lib/xdrf_em64/libxdrf.a
+	cc -o compinfo compinfo.c
+	./compinfo | true
+	${FC} ${FFLAGS} cinfo.f
+	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
 
-unres: ${object} proc_proc.o
-	cc -o compinfo compinfo.c 
+E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI -DAMD64 \
+	-DSPLITELE -DLANG0
+E0LL2Y: BIN = ../../../bin/unres/MD-M/unres_ifort_MPICH_E0LL2Y.exe
+E0LL2Y: ${object} ../../lib/xdrf_em64/libxdrf.a
+	cc -o compinfo compinfo.c
 	./compinfo | true
 	${FC} ${FFLAGS} cinfo.f
-	${FC} ${OPT} -Wl,-M ${object} proc_proc.o cinfo.o ${LIBS}  -o ${BIN}
+	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
+
+../../lib/xdrf_em64/libxdrf.a:
+	cd ../../lib/xdrf_em64 && make
 
 
 clean:
@@ -129,3 +135,12 @@ lagrangian_lesyng.o : lagrangian_lesyng.F
 
 proc_proc.o: proc_proc.c
 	${CC} ${CFLAGS} proc_proc.c
+
+add.o: add.f
+	${FC} ${FFLAGS2} add.f
+
+blas.o: blas.f
+	${FC} ${FFLAGS2} blas.f
+
+eigen.o: eigen.f
+	${FC} ${FFLAGS2} eigen.f