CFLAGS = -DLINUX -DPGI -c
-OPT = -O
-#OPT1 = -fbounds-check -g -O
+OPT = -O -fbounds-check -g
+OPT1 = -g
#OPT = -fbounds-check -g
-OPT1 = -g
+#OPT1 = -g
# -Mvect <---slows down
# -Minline=name:matmat2 <---false convergence
PP = /lib/cpp -P
all:
- @echo "Specify force field: GAB or E0LL2Y"
+ @echo "Specify force field: GAB, 4P or E0LL2Y"
.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 test.o
+ q_measure.o gnmr1.o test.o ssMD.o
-GAB: CPPFLAGS = -DPROCOR -DLINUX -DUNRES -DISNAN \
+no_option:
+
+GAB: CPPFLAGS = -DPROCOR -DLINUX -DAMD64 -DUNRES -DISNAN \
-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
GAB: BIN = ../../../bin/unres/MD/unres_gfortran_single_GAB.exe
GAB: ${object} xdrf/libxdrf.a
${FC} ${FFLAGS} cinfo.f
${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
-E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DUNRES -DISNAN \
+4P: CPPFLAGS = -DLINUX -DAMD64 -DUNRES -DISNAN \
+ -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
+4P: BIN = ../../../bin/unres/MD/unres_gfortran_single_4P.exe
+4P: ${object} xdrf/libxdrf.a
+ cc -o compinfo compinfo.c
+ ./compinfo | true
+ ${FC} ${FFLAGS} cinfo.f
+ ${FC} ${OPT} ${object} cinfo.o ${LIBS} -o ${BIN}
+
+E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DAMD64 -DUNRES -DISNAN \
-DSPLITELE -DLANG0
E0LL2Y: BIN = ../../../bin/unres/MD/unres_gfortran_single_E0LL2Y.exe
E0LL2Y: ${object} xdrf/libxdrf.a