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) |
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 \ |
68 |
|
$(DIR)/Exclude.cpp \ |
69 |
|
$(DIR)/InitializeFromFile.cpp \ |
70 |
|
$(DIR)/LJFF.cpp \ |
71 |
+ |
$(DIR)/EAM_FF.cpp \ |
72 |
|
$(DIR)/SimInfo.cpp \ |
73 |
|
$(DIR)/SimSetup.cpp \ |
74 |
|
$(DIR)/StatWriter.cpp \ |
82 |
|
$(DIR)/fortranWrappers.cpp \ |
83 |
|
$(DIR)/ForceFields.cpp \ |
84 |
|
$(DIR)/mpiSimulation.cpp \ |
85 |
< |
$(DIR)/Molecule.cpp \ |
83 |
< |
$(DIR)/NVT.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 \ |
89 |
– |
$(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 := $(C_FILES) |
182 |
|
|
183 |
|
obj/vector_class$(O): ./vector_class.F90 |
184 |
|
|
185 |
+ |
obj/status_module$(O): ./status_module.F90 |
186 |
+ |
|
187 |
|
obj/force_globals$(O): ./force_globals.F90 \ |
188 |
|
obj/$(F_MACH_DEFS) |
189 |
|
|
195 |
|
obj/simulation_module$(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$(O) \ |
250 |
|
obj/calc_dipole_dipole$(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$(O) |
255 |
> |
|
256 |
> |
obj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
257 |
> |
obj/$(F_MACH_DEFS) \ |
258 |
> |
obj/atype_module$(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) \ |
267 |
|
obj/simulation_module$(O) \ |
268 |
|
obj/calc_sticky_pair$(O) \ |
269 |
|
obj/calc_gb$(O) \ |
270 |
< |
obj/do_Forces$(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$(O): ./force_globals.F90 \ |
305 |
|
MPIobj/mpiSimulation_module$(O) \ |
306 |
|
MPIobj/force_globals$(O) |
307 |
|
|
308 |
+ |
MPIobj/calc_eam$(O): ./calc_eam.F90 \ |
309 |
+ |
MPIobj/$(F_MACH_DEFS) \ |
310 |
+ |
MPIobj/atype_module$(O) \ |
311 |
+ |
MPIobj/simulation_module$(O) \ |
312 |
+ |
MPIobj/vector_class$(O) \ |
313 |
+ |
MPIobj/force_globals$(O) \ |
314 |
+ |
MPIobj/status_module$(O) |
315 |
+ |
|
316 |
+ |
|
317 |
|
MPIobj/atype_module$(O): ./atype_module.F90 \ |
318 |
|
MPIobj/$(F_MACH_DEFS) \ |
319 |
|
MPIobj/vector_class$(O) |
364 |
|
MPIobj/calc_dipole_dipole$(O) \ |
365 |
|
MPIobj/calc_reaction_field$(O) \ |
366 |
|
MPIobj/calc_gb$(O) \ |
367 |
< |
MPIobj/force_globals$(O) |
367 |
> |
MPIobj/force_globals$(O) \ |
368 |
> |
MPIobj/vector_class$(O) |
369 |
|
|
370 |
+ |
MPIobj/notifyCutoffs$(O): ./notifyCutoffs.F90 \ |
371 |
+ |
MPIobj/$(F_MACH_DEFS) \ |
372 |
+ |
MPIobj/atype_module$(O) \ |
373 |
+ |
MPIobj/calc_LJ_FF$(O) \ |
374 |
+ |
MPIobj/calc_dipole_dipole$(O) \ |
375 |
+ |
MPIobj/calc_reaction_field$(O) \ |
376 |
+ |
MPIobj/do_Forces$(O) |
377 |
+ |
|
378 |
|
MPIobj/wrappers$(O): ./wrappers.F90 \ |
379 |
|
MPIobj/$(F_MACH_DEFS) \ |
380 |
|
MPIobj/mpiSimulation_module$(O) \ |
382 |
|
MPIobj/simulation_module$(O) \ |
383 |
|
MPIobj/calc_sticky_pair$(O) \ |
384 |
|
MPIobj/calc_gb$(O) \ |
385 |
< |
MPIobj/do_Forces$(O) |
385 |
> |
MPIobj/do_Forces$(O) \ |
386 |
> |
MPIobj/notifyCutoffs$(O) |