-FC = ifort
+#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 = -g
+CFLAGS = -DSGI -c
+
FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include
FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include
FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include
FFLAGSE = -c -w -O3 -ipo -ipo_obj -opt_report -I$(INSTALL_DIR)/include
-CC = cc
-
-CFLAGS = -DLINUX -DPGI -c
-
-OPT = -O3 -ip -w
-
-# -Mvect <---slows down
-# -Minline=name:matmat2 <---false convergence
-
-LIBS = -Lxdrf -lxdrf
-#-DMOMENT
-#-DCO_BIAS
-#-DCRYST_TOR
-#-DDEBUG
+#BIN = ../../../bin/unres/MD-M/unres_Tc_procor_newparm_em64-D-symetr.exe
+#LIBS = -L$(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
ARCH = LINUX
PP = /lib/cpp -P
-all:
- @echo "Specify force field: GAB, 4P or E0LL2Y"
+
+all: GAB
.SUFFIXES: .F
.F.o:
no_option:
-GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN \
- -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
-GAB: BIN = ../../../bin/unres/MD/unres-mult_ifort_single_GAB.exe
-GAB: ${object} xdrf/libxdrf.a
+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}
+
+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} ${object} cinfo.o ${LIBS} -o ${BIN}
+../../lib/xdrf_em64/libxdrf.a:
+ cd ../../lib/xdrf_em64 && make
+
4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN \
-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
4P: BIN = ../../../bin/unres/MD/unres-mult_ifort_single_4P.exe