--- /dev/null
+###################################################################
+#INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+INSTALL_DIR = /users/software/mpich2-1.4.1p1_intel
+#INSTALL_DIR = /users2/emilial/UNRES/new_F90/source/unres_MD-M
+
+FC= ${INSTALL_DIR}/bin/mpif90
+
+OPT = -O3 -ip
+
+#FFLAGS = -fpp -c ${OPT} -I$(INSTALL_DIR)/include
+#-mcmodel large -check arg_temp_created -heap-arrays -recursive
+#FFLAGS = -fpp -c ${OPT} #-auto
+FFLAGS = -fpp -c -g -CA -CB -auto -zero -traceback -u -check pointer -check uninit
+#FFLAGSm = -fpp -c -O #-g -CA -CB -auto -zero -traceback -u -check uninit -check pointer
+FFLAGSm = -fpp -c -g -CA -CB -auto -zero -traceback -u -check pointer -check uninit
+#FFLAGS_ = -fpp -c -g -CA -CB -zero -traceback -u -check pointer -check uninit
+#FFLAGS1 = -fpp -c -g -CA -CB #-auto #-zero -traceback -u -check pointer -check uninit
+FFLAGS1 = -fpp -c -g -CA -CB -auto -zero -traceback -u -check pointer -check uninit
+FFLAGS2 = -fpp -c -g -O0 #-I$(INSTALL_DIR)/include
+#FFLAGS2 = -fpp -c -g -O0 #-I$(INSTALL_DIR)/include
+#FFLAGSE = -fpp -c ${OPT} #-g -CA -CB -auto -zero -traceback -u -check uninit -check pointer -O3 -ipo -opt_report #-g -CA -CB -auto -zero -traceback -u -check pointer -check uninit #-I$(INSTALL_DIR)/include
+FFLAGSE = -fpp -c -g -CA -CB -auto -zero -traceback -u -check pointer -check uninit #-O3 -ipo -opt_report
+
+#CPPFLAGS = -DPROCOR -DLINUX -DPGI -DISNAN
+# -lmpl only necessary for mpich2-1.4.1p1_intel
+#LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -lmpl
+
+ARCH = LINUX
+PP = /lib/cpp -P
+
+#EXE_FILE = unres_MD-M_E0LL2Y_F90_EL.exe
+
+
+all: no_option
+ @echo "Specify force field: GAB, 4P or E0LL2Y; or NMPI"
+
+.SUFFIXES: .f90
+.f90.o:
+ ${FC} ${FFLAGS} ${CPPFLAGS} $*.f90
+
+objects = xdrf/*.o names.o io_units.o calc_data.o compare_data.o control_data.o \
+ CSA_data.o energy_data.o geometry_data.o map_data.o \
+ MCM_data.o MD_data.o minim_data.o MPI_data.o REMD_data.o comm_local.o \
+ prng_32.o math.o random.o geometry.o md_calc.o io_base.o energy.o check_bond.o muca_md.o\
+ control.o io_config.o MPI.o minim.o \
+ regularize.o compare.o map.o REMD.o MCM_MD.o io.o \
+ MD.o MREMD.o CSA.o unres.o
+
+
+#${EXE_FILE}: ${objects}
+# ${FC} ${OPT} ${objects} -o ${EXE_FILE}
+
+no_option:
+
+#NMPI: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DISNAN
+NMPI: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN \
+ -DSPLITELE -DLANG0
+NMPI: EXE_FILE = ../../bin/unres_MD-M_NO_MPI_F90_EL.exe
+
+NMPI: ${objects}
+ cc -o compinfo compinfo.c
+ ./compinfo | true
+ ${FC} ${FFLAGS} cinfo.f90
+ ${FC} ${OPT} ${objects} cinfo.o -o ${EXE_FILE}
+
+# ${FC} ${objects} -Xlinker -M -o ${EXE_FILE}
+GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+ -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
+GAB: EXE_FILE = ../../bin/unres_MD-M_GAB_F90_EL_flags.exe
+GAB: ${objects}
+ cc -o compinfo compinfo.c
+ ./compinfo | true
+ ${FC} ${FFLAGS} cinfo.f90
+ ${FC} ${OPT} ${objects} cinfo.o -o ${EXE_FILE}
+
+4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+ -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
+4P: EXE_FILE = ../../bin/unres_MD-M_4P_F90_EL_flags.exe
+4P: ${objects}
+ cc -o compinfo compinfo.c
+ ./compinfo | true
+ ${FC} ${FFLAGS} cinfo.f90
+ ${FC} ${OPT} ${objects} cinfo.o -o ${EXE_FILE}
+
+E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+ -DSPLITELE -DLANG0
+E0LL2Y: EXE_FILE = ../../bin/unres_MD-M_E0LL2Y_F90_EL_flags.exe
+E0LL2Y: ${objects}
+ cc -o compinfo compinfo.c
+ ./compinfo | true
+ ${FC} ${FFLAGS} cinfo.f90
+ ${FC} ${OPT} ${objects} cinfo.o -o ${EXE_FILE}
+
+
+xdrf/*.o:
+ cd xdrf && make
+
+clean:
+ rm -f *.o && rm -f *.mod && rm ${EXE_FILE} && rm -f compinfo && cd xdrf && make clean
+
+
+names.o: names.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} names.f90
+
+io_units.o: io_units.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} io_units.f90
+
+calc_data.o: calc_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} calc_data.f90
+
+compare_data.o: compare_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} compare_data.f90
+
+control_data.o: control_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} control_data.f90
+
+CSA_data.o: CSA_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} CSA_data.f90
+
+energy_data.o: energy_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} energy_data.f90
+
+geometry_data.o: geometry_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} geometry_data.f90
+
+map_data.o: map_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} map_data.f90
+
+MCM_data.o: MCM_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} MCM_data.f90
+
+MD_data.o: MD_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} MD_data.f90
+
+minim_data.o: minim_data.f90
+ ${FC} ${FFLAGSm} ${CPPFLAGS} minim_data.f90
+
+MPI_data.o: MPI_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} MPI_data.f90
+
+REMD_data.o: REMD_data.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} REMD_data.f90
+
+comm_local.o: comm_local.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} comm_local.f90
+
+prng_32.o: prng_32.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} prng_32.f90
+
+math.o: math.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} math.f90
+
+random.o: random.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} random.f90
+
+geometry.o: geometry.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} geometry.f90
+
+md_calc.o: md_calc.f90
+ ${FC} ${FFLAGS1} ${CPPFLAGS} md_calc.f90
+
+io_base.o: io_base.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} io_base.f90
+
+energy.o: energy.f90
+ ${FC} ${FFLAGSE} ${CPPFLAGS} energy.f90
+
+check_bond.o: check_bond.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} check_bond.f90
+
+control.o: control.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} control.f90
+
+io_config.o: io_config.f90
+ ${FC} ${FFLAGS2} ${CPPFLAGS} io_config.f90
+
+MPI.o: MPI.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} MPI.f90
+
+minim.o: minim.f90
+ ${FC} ${FFLAGS1} ${CPPFLAGS} minim.f90
+
+regularize.o: regularize.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} regularize.f90
+
+compare.o: compare.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} compare.f90
+
+map.o: map.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} map.f90
+
+muca_md.o: muca_md.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} muca_md.f90
+
+REMD.o: REMD.f90
+ ${FC} ${FFLAGSE} ${CPPFLAGS} REMD.f90
+
+MCM_MD.o: MCM_MD.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} MCM_MD.f90
+
+io.o: io.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} io.f90
+
+MD.o: MD.f90
+ ${FC} ${FFLAGSE} ${CPPFLAGS} MD.f90
+
+MREMD.o: MREMD.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} MREMD.f90
+
+CSA.o: CSA.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} CSA.f90
+
+unres.o: unres.f90
+ ${FC} ${FFLAGS} ${CPPFLAGS} unres.f90
projects / unres4.git / blobdiff