-CPPFLAGS = -DLINUX -DUNRES -DMP -DMPI \
- -DPGI -DSPLITELE -DISNAN -DAMD64 \
- -DPROCOR -DLANG0 \
- -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
-## -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
#
OPT = -O3 -ip -w
#OPT = -g -CB
+#OPT = -g
CFLAGS = -DSGI -c
FFLAGS = -c ${OPT} -I$(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:
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:
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