update

[unres.git] / source / unres / src_MD / Makefile_single_gfortran

diff --git a/source/unres/src_MD/Makefile_single_gfortran b/source/unres/src_MD/Makefile_single_gfortran
index 8e393f8..3f29731 100644 (file)
--- a/source/unres/src_MD/Makefile_single_gfortran
+++ b/source/unres/src_MD/Makefile_single_gfortran
@@ -6,11 +6,11 @@ CC = cc
 
 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
@@ -25,7 +25,7 @@ ARCH = LINUX
 PP = /lib/cpp -P
 
 all: 
-       @echo "Specify force field: GAB or E0LL2Y"
+       @echo "Specify force field: GAB, 4P or E0LL2Y"
 
 .SUFFIXES: .F
 .F.o:
@@ -45,9 +45,11 @@ 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 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
@@ -56,7 +58,16 @@ 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