| 18 |
|
# include paths starting with "." are all relative to the SUBDIRS!!! |
| 19 |
|
|
| 20 |
|
INCLUDES= -I.. -I../../libBASS -I$(SPRNG_INC) |
| 21 |
< |
MPI_INCLUDES= -I$(MPICH_INC) -I$(MPICH_INC)/mpi2c++ -I$(MPI_F90_MODS) |
| 21 |
> |
MPI_INCLUDES= -I$(MPICH_INC) -I$(MPI_F90_MODS) |
| 22 |
|
|
| 23 |
|
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARES) $(MPI_INCLUDES) |
| 24 |
|
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARES) |
| 25 |
< |
FFLAGS=$(FFLAGS_C) $(DECLARES) |
| 25 |
> |
FFLAGS=$(FFLAGS_C) |
| 26 |
|
DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS -I$(SPRNG_INC) $(MPI_INCLUDES) |
| 27 |
|
|
| 28 |
|
MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
| 29 |
|
MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
| 30 |
|
MPI_FFLAGS=$(FFLAGS) $(MPI_INCLUDES) $(MPI_DECLARES) |
| 31 |
|
|
| 32 |
+ |
SRC_DIR := $(PWD) |
| 33 |
+ |
|
| 34 |
|
# Then do the compile rules: |
| 35 |
|
|
| 36 |
|
obj/%.o: %.F90 |
| 37 |
< |
cd obj; $(FC) $(FFLAGS) -c ../$< |
| 37 |
> |
cd obj; $(FC) $(FFLAGS) -c $(SRC_DIR)/$< |
| 38 |
|
|
| 39 |
|
MPIobj/%.o: %.F90 |
| 40 |
< |
cd MPIobj; $(FC) $(MPI_FFLAGS) -c ../$< |
| 40 |
> |
cd MPIobj; $(FC) $(MPI_FFLAGS) -c $(SRC_DIR)/$< |
| 41 |
|
|
| 42 |
|
obj/%.o: %.cpp |
| 43 |
< |
cd obj; $(CXX) $(CXXFLAGS) -c ../$< |
| 43 |
> |
cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$< |
| 44 |
|
|
| 45 |
|
MPIobj/%.o: %.cpp |
| 46 |
< |
cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c ../$< |
| 46 |
> |
cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$< |
| 47 |
|
|
| 48 |
|
obj/%.o: %.c |
| 49 |
< |
cd obj; $(CC) $(CFLAGS) -c ../$< |
| 49 |
> |
cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$< |
| 50 |
|
|
| 51 |
|
MPIobj/%.o: %.c |
| 52 |
< |
cd MPIobj; $(CC) $(MPI_CFLAGS) -c ../$< |
| 52 |
> |
cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$< |
| 53 |
|
|
| 54 |
|
# Then list what we have to compile |
| 55 |
|
|
| 56 |
< |
C_FILES = $(DIR)/mpiForceField.c |
| 56 |
> |
C_FILES = \ |
| 57 |
> |
$(DIR)/mpiForceField.c \ |
| 58 |
> |
$(DIR)/fInfo.c |
| 59 |
|
|
| 60 |
|
CXX_FILES = \ |
| 61 |
|
$(DIR)/Atom.cpp \ |
| 63 |
|
$(DIR)/BendExtensions.cpp \ |
| 64 |
|
$(DIR)/Bond.cpp \ |
| 65 |
|
$(DIR)/BondExtensions.cpp \ |
| 62 |
– |
$(DIR)/DipoleTestFF.cpp \ |
| 66 |
|
$(DIR)/DirectionalAtom.cpp \ |
| 67 |
|
$(DIR)/DumpWriter.cpp \ |
| 68 |
|
$(DIR)/Exclude.cpp \ |
| 69 |
|
$(DIR)/InitializeFromFile.cpp \ |
| 70 |
< |
$(DIR)/LJ_FF.cpp \ |
| 70 |
> |
$(DIR)/LJFF.cpp \ |
| 71 |
> |
$(DIR)/EAM_FF.cpp \ |
| 72 |
|
$(DIR)/SimInfo.cpp \ |
| 73 |
|
$(DIR)/SimSetup.cpp \ |
| 74 |
|
$(DIR)/StatWriter.cpp \ |
| 75 |
< |
$(DIR)/Symplectic.cpp \ |
| 75 |
> |
$(DIR)/Integrator.cpp \ |
| 76 |
|
$(DIR)/Thermo.cpp \ |
| 77 |
|
$(DIR)/GhostBend.cpp \ |
| 78 |
|
$(DIR)/Torsion.cpp \ |
| 79 |
|
$(DIR)/TorsionExtensions.cpp \ |
| 80 |
< |
$(DIR)/TraPPE_ExFF.cpp \ |
| 77 |
< |
$(DIR)/TraPPEFF.cpp \ |
| 78 |
< |
$(DIR)/Verlet.cpp \ |
| 80 |
> |
$(DIR)/DUFF.cpp \ |
| 81 |
|
$(DIR)/randomSPRNG.cpp \ |
| 82 |
|
$(DIR)/fortranWrappers.cpp \ |
| 83 |
|
$(DIR)/ForceFields.cpp \ |
| 84 |
< |
$(DIR)/mpiSimulation.cpp |
| 84 |
> |
$(DIR)/mpiSimulation.cpp \ |
| 85 |
> |
$(DIR)/Molecule.cpp |
| 86 |
|
|
| 87 |
|
|
| 88 |
|
F90_FILES= \ |
| 89 |
|
$(DIR)/Linux_ifc_machdep.F90 \ |
| 90 |
+ |
$(DIR)/status_module.F90 \ |
| 91 |
|
$(DIR)/atype_module.F90 \ |
| 88 |
– |
$(DIR)/f_verlet_constrained.F90 \ |
| 92 |
|
$(DIR)/calc_dipole_dipole.F90 \ |
| 93 |
|
$(DIR)/calc_reaction_field.F90 \ |
| 94 |
|
$(DIR)/calc_LJ_FF.F90 \ |
| 95 |
+ |
$(DIR)/calc_eam.F90 \ |
| 96 |
|
$(DIR)/calc_sticky_pair.F90 \ |
| 97 |
|
$(DIR)/do_Forces.F90 \ |
| 98 |
|
$(DIR)/vector_class.F90 \ |
| 101 |
|
$(DIR)/neighborLists.F90 \ |
| 102 |
|
$(DIR)/calc_gb.F90 \ |
| 103 |
|
$(DIR)/force_globals.F90 \ |
| 104 |
< |
$(DIR)/mpiSimulation_module.F90 |
| 104 |
> |
$(DIR)/mpiSimulation_module.F90 \ |
| 105 |
> |
$(DIR)/notifyCutoffs.F90 |
| 106 |
|
|
| 107 |
|
DIR:=. |
| 108 |
|
C_SRCS := $(C_FILES) |
| 161 |
|
echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep |
| 162 |
|
$(CC) $(DEPFLAGS) -MM $(C_SRCS) $(CXX_SRCS) \ |
| 163 |
|
| sed 's/\.o:/\$$(O)\ :/g' > Make.temp |
| 164 |
< |
cat Make.temp | sed 's/^/obj\//' >> Make.dep |
| 165 |
< |
cat Make.temp | sed 's/^/MPIobj\//' >> Make.dep |
| 164 |
> |
cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
| 165 |
> |
cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep |
| 166 |
|
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90 |
| 167 |
|
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90 |
| 168 |
|
# cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep |
| 182 |
|
|
| 183 |
|
obj/vector_class$(O): ./vector_class.F90 |
| 184 |
|
|
| 185 |
+ |
obj/status_module$(O): ./status_module.F90 |
| 186 |
+ |
|
| 187 |
|
obj/force_globals$(O): ./force_globals.F90 \ |
| 188 |
|
obj/$(F_MACH_DEFS) |
| 189 |
|
|
| 192 |
|
|
| 193 |
|
obj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
| 194 |
|
obj/$(F_MACH_DEFS) \ |
| 195 |
+ |
obj/simulation_module$(O) \ |
| 196 |
|
obj/force_globals$(O) |
| 197 |
|
|
| 198 |
+ |
obj/calc_eam$(O): ./calc_eam.F90 \ |
| 199 |
+ |
obj/$(F_MACH_DEFS) \ |
| 200 |
+ |
obj/atype_module$(O) \ |
| 201 |
+ |
obj/simulation_module$(O) \ |
| 202 |
+ |
obj/vector_class$(O) \ |
| 203 |
+ |
obj/force_globals$(O) \ |
| 204 |
+ |
obj/status_module$(O) |
| 205 |
+ |
|
| 206 |
|
obj/calc_gb$(O): ./calc_gb.F90 \ |
| 207 |
|
obj/$(F_MACH_DEFS) \ |
| 208 |
+ |
obj/simulation_module$(O) \ |
| 209 |
|
obj/force_globals$(O) |
| 210 |
|
|
| 211 |
|
obj/atype_module$(O): ./atype_module.F90 \ |
| 212 |
|
obj/$(F_MACH_DEFS) \ |
| 213 |
< |
obj/vector_class$(O) \ |
| 197 |
< |
obj/calc_sticky_pair$(O) \ |
| 198 |
< |
obj/calc_gb$(O) |
| 213 |
> |
obj/vector_class$(O) |
| 214 |
|
|
| 215 |
|
obj/simulation_module$(O): ./simulation_module.F90 \ |
| 216 |
|
obj/$(F_MACH_DEFS) \ |
| 217 |
+ |
obj/vector_class$(O) \ |
| 218 |
+ |
obj/force_globals$(O) \ |
| 219 |
|
obj/atype_module$(O) \ |
| 220 |
|
obj/neighborLists$(O) |
| 221 |
|
|
| 222 |
|
obj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
| 223 |
|
obj/$(F_MACH_DEFS) \ |
| 224 |
|
obj/atype_module$(O) \ |
| 225 |
+ |
obj/simulation_module$(O) \ |
| 226 |
|
obj/vector_class$(O) \ |
| 227 |
|
obj/force_globals$(O) |
| 228 |
|
|
| 230 |
|
obj/$(F_MACH_DEFS) \ |
| 231 |
|
obj/vector_class$(O) \ |
| 232 |
|
obj/atype_module$(O) \ |
| 233 |
+ |
obj/simulation_module$(O) \ |
| 234 |
|
obj/force_globals$(O) |
| 235 |
|
|
| 236 |
|
obj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
| 237 |
|
obj/$(F_MACH_DEFS) \ |
| 238 |
|
obj/atype_module$(O) \ |
| 239 |
+ |
obj/simulation_module$(O) \ |
| 240 |
|
obj/force_globals$(O) \ |
| 241 |
|
obj/vector_class$(O) |
| 242 |
|
|
| 243 |
|
obj/do_Forces$(O): ./do_Forces.F90 \ |
| 244 |
|
obj/$(F_MACH_DEFS) \ |
| 225 |
– |
obj/simulation_module$(O) \ |
| 245 |
|
obj/atype_module$(O) \ |
| 246 |
+ |
obj/simulation_module$(O) \ |
| 247 |
|
obj/neighborLists$(O) \ |
| 248 |
|
obj/calc_LJ_FF$(O) \ |
| 249 |
|
obj/calc_sticky_pair$(O) \ |
| 250 |
|
obj/calc_dipole_dipole$(O) \ |
| 251 |
|
obj/calc_reaction_field$(O) \ |
| 252 |
|
obj/calc_gb$(O) \ |
| 253 |
< |
obj/force_globals$(O) |
| 253 |
> |
obj/force_globals$(O) \ |
| 254 |
> |
obj/vector_class$(O) |
| 255 |
|
|
| 256 |
< |
obj/wrappers$(O): ./wrappers.F90 \ |
| 256 |
> |
obj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
| 257 |
|
obj/$(F_MACH_DEFS) \ |
| 237 |
– |
obj/simulation_module$(O) \ |
| 258 |
|
obj/atype_module$(O) \ |
| 259 |
+ |
obj/calc_LJ_FF$(O) \ |
| 260 |
+ |
obj/calc_dipole_dipole$(O) \ |
| 261 |
+ |
obj/calc_reaction_field$(O) \ |
| 262 |
|
obj/do_Forces$(O) |
| 263 |
|
|
| 264 |
+ |
obj/wrappers$(O): ./wrappers.F90 \ |
| 265 |
+ |
obj/$(F_MACH_DEFS) \ |
| 266 |
+ |
obj/atype_module$(O) \ |
| 267 |
+ |
obj/simulation_module$(O) \ |
| 268 |
+ |
obj/calc_sticky_pair$(O) \ |
| 269 |
+ |
obj/calc_gb$(O) \ |
| 270 |
+ |
obj/do_Forces$(O) \ |
| 271 |
+ |
obj/notifyCutoffs$(O) |
| 272 |
+ |
|
| 273 |
+ |
|
| 274 |
+ |
|
| 275 |
+ |
|
| 276 |
+ |
|
| 277 |
+ |
|
| 278 |
|
#MPI dependencies: |
| 279 |
|
|
| 280 |
|
MPIobj/$(F_MACH_DEFS): ./Linux_ifc_machdep.F90 |
| 281 |
|
|
| 282 |
|
MPIobj/vector_class$(O): ./vector_class.F90 |
| 283 |
|
|
| 284 |
+ |
MPIobj/status_module$(O): ./status_module.F90 |
| 285 |
+ |
|
| 286 |
|
MPIobj/mpiSimulation_module$(O): ./mpiSimulation_module.F90 |
| 287 |
|
|
| 288 |
|
MPIobj/force_globals$(O): ./force_globals.F90 \ |
| 295 |
|
|
| 296 |
|
MPIobj/calc_sticky_pair$(O): ./calc_sticky_pair.F90 \ |
| 297 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 298 |
+ |
MPIobj/simulation_module$(O) \ |
| 299 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 300 |
|
MPIobj/force_globals$(O) |
| 301 |
|
|
| 302 |
|
MPIobj/calc_gb$(O): ./calc_gb.F90 \ |
| 303 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 304 |
+ |
MPIobj/simulation_module$(O) \ |
| 305 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 306 |
|
MPIobj/force_globals$(O) |
| 307 |
|
|
| 308 |
< |
MPIobj/atype_module$(O): ./atype_module.F90 \ |
| 308 |
> |
MPIobj/calc_eam$(O): ./calc_eam.F90 \ |
| 309 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 310 |
+ |
MPIobj/atype_module$(O) \ |
| 311 |
+ |
MPIobj/simulation_module$(O) \ |
| 312 |
+ |
MPIobj/mpiSimulation_module$(O) \ |
| 313 |
|
MPIobj/vector_class$(O) \ |
| 314 |
< |
MPIobj/calc_sticky_pair$(O) \ |
| 315 |
< |
MPIobj/calc_gb$(O) |
| 314 |
> |
MPIobj/force_globals$(O) \ |
| 315 |
> |
MPIobj/status_module$(O) |
| 316 |
|
|
| 317 |
+ |
|
| 318 |
+ |
MPIobj/atype_module$(O): ./atype_module.F90 \ |
| 319 |
+ |
MPIobj/$(F_MACH_DEFS) \ |
| 320 |
+ |
MPIobj/vector_class$(O) |
| 321 |
+ |
|
| 322 |
|
MPIobj/simulation_module$(O): ./simulation_module.F90 \ |
| 323 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 324 |
+ |
MPIobj/atype_module$(O) \ |
| 325 |
+ |
MPIobj/vector_class$(O) \ |
| 326 |
+ |
MPIobj/force_globals$(O) \ |
| 327 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 328 |
|
MPIobj/atype_module$(O) \ |
| 329 |
|
MPIobj/neighborLists$(O) |
| 330 |
|
|
| 331 |
|
MPIobj/calc_LJ_FF$(O): ./calc_LJ_FF.F90 \ |
| 332 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 333 |
+ |
MPIobj/atype_module$(O) \ |
| 334 |
+ |
MPIobj/simulation_module$(O) \ |
| 335 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 336 |
|
MPIobj/atype_module$(O) \ |
| 337 |
|
MPIobj/vector_class$(O) \ |
| 339 |
|
|
| 340 |
|
MPIobj/calc_reaction_field$(O): ./calc_reaction_field.F90 \ |
| 341 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 342 |
+ |
MPIobj/atype_module$(O) \ |
| 343 |
+ |
MPIobj/simulation_module$(O) \ |
| 344 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 345 |
|
MPIobj/vector_class$(O) \ |
| 346 |
|
MPIobj/atype_module$(O) \ |
| 348 |
|
|
| 349 |
|
MPIobj/calc_dipole_dipole$(O): ./calc_dipole_dipole.F90 \ |
| 350 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 295 |
– |
MPIobj/mpiSimulation_module$(O) \ |
| 351 |
|
MPIobj/atype_module$(O) \ |
| 352 |
+ |
MPIobj/simulation_module$(O) \ |
| 353 |
+ |
MPIobj/mpiSimulation_module$(O) \ |
| 354 |
|
MPIobj/force_globals$(O) \ |
| 355 |
|
MPIobj/vector_class$(O) |
| 356 |
|
|
| 357 |
|
MPIobj/do_Forces$(O): ./do_Forces.F90 \ |
| 358 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 359 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 303 |
– |
MPIobj/simulation_module$(O) \ |
| 360 |
|
MPIobj/atype_module$(O) \ |
| 361 |
+ |
MPIobj/simulation_module$(O) \ |
| 362 |
|
MPIobj/neighborLists$(O) \ |
| 363 |
|
MPIobj/calc_LJ_FF$(O) \ |
| 364 |
|
MPIobj/calc_sticky_pair$(O) \ |
| 365 |
|
MPIobj/calc_dipole_dipole$(O) \ |
| 366 |
|
MPIobj/calc_reaction_field$(O) \ |
| 367 |
|
MPIobj/calc_gb$(O) \ |
| 368 |
< |
MPIobj/force_globals$(O) |
| 368 |
> |
MPIobj/force_globals$(O) \ |
| 369 |
> |
MPIobj/vector_class$(O) |
| 370 |
|
|
| 371 |
+ |
MPIobj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
| 372 |
+ |
MPIobj/$(F_MACH_DEFS) \ |
| 373 |
+ |
MPIobj/atype_module$(O) \ |
| 374 |
+ |
MPIobj/calc_LJ_FF$(O) \ |
| 375 |
+ |
MPIobj/calc_dipole_dipole$(O) \ |
| 376 |
+ |
MPIobj/calc_reaction_field$(O) \ |
| 377 |
+ |
MPIobj/do_Forces$(O) |
| 378 |
+ |
|
| 379 |
|
MPIobj/wrappers$(O): ./wrappers.F90 \ |
| 380 |
|
MPIobj/$(F_MACH_DEFS) \ |
| 381 |
|
MPIobj/mpiSimulation_module$(O) \ |
| 316 |
– |
MPIobj/simulation_module$(O) \ |
| 382 |
|
MPIobj/atype_module$(O) \ |
| 383 |
< |
MPIobj/do_Forces$(O) |
| 383 |
> |
MPIobj/simulation_module$(O) \ |
| 384 |
> |
MPIobj/calc_sticky_pair$(O) \ |
| 385 |
> |
MPIobj/calc_gb$(O) \ |
| 386 |
> |
MPIobj/do_Forces$(O) \ |
| 387 |
> |
MPIobj/notifyCutoffs$(O) |
