added optimization flags + none-module compilation (speedup!)

diff --git a/Makefile b/Makefile
index 47670a8..d1b78ec 100644 (file)
--- a/Makefile
+++ b/Makefile
@@ -1,18 +1,21 @@
 CC = gcc
 
-CFLAGS = -Wall
+CFLAGS = -Wall -Winline
 #CFLAGS += -Wextra -pedantic
-CFLAGS += -O3
+CFLAGS += -O3 -march=native -msse2 -mfpmath=sse
 CFLAGS += -g
-CFLAGS += -ffloat-store
+#CFLAGS += -ffloat-store
+
+#CFLAGS+= -DPARALLEL -fopenmp
 
 CFLAGS += -DALBE
+CFLAGS += -DALBE_FAST
 #CFLAGS += -DTERSOFF_ORIG
 
 #CFLAGS += -DSTATIC_LISTS
 
 #CFLAGS += -DDEBUG
-#CFLAGS += -DDSTART=19 -DDEND=40 -DDATOM=5832
+#CFLAGS += -DDSTART=-1 -DDEND=40 -DDATOM=0
 #CFLAGS += -DVDEBUG
 
 LDFLAGS = -lm
@@ -21,13 +24,21 @@ LDFLAGS = -lm
 DEPS = moldyn.o random/random.o list/list.o
 DEPS += potentials/lennard_jones.o potentials/harmonic_oscillator.o
 DEPS += potentials/tersoff.o potentials/albe.o
+DEPS += potentials/albe_fast.o
+
+SRC = moldyn.c random/random.c list/list.c
+SRC += potentials/lennard_jones.c potentials/harmonic_oscillator.c
+SRC += potentials/tersoff.c potentials/albe.c
+SRC += potentials/albe_fast.c
 
 ALL = mdrun sic fluctuation_calc postproc pair_correlation_calc diffusion_calc
 ALL += bond_analyze search_bonds visual_atoms display_atom_data
 
 all: $(ALL)
 
-mdrun: $(DEPS)
+# main code. using SRC, much more efficient code is produced!
+mdrun: $(SRC)
+#mdrun: $(DEPS)
 
 sic: $(DEPS) config.h