mmka.chem.univ.gda.pl Git - unres.git/blob - source/cluster/wham/src-M/Makefile-MPICH-gfortran

1 ##################################################################

2 INSTALL_DIR = /users/software/mpich2-1.0.7

4 FC= gfortran

6 OPT = -O

8 FFLAGS = ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include

10 LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpthread xdrf/libxdrf.a

12 .c.o:

13 cc -c -DLINUX -DPGI $*.c

15 .f.o:

16 ${FC} ${FFLAGS} $*.f

18 .F.o:

19 ${FC} ${FFLAGS} ${CPPFLAGS} ${FFLAGS} $*.F

21 object = main_clust.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \

22 matmult.o readrtns.o pinorm.o rescode.o intcor.o timing.o misc.o \

23 geomout.o readpdb.o read_coords.o parmread.o probabl.o fitsq.o hc.o \

24 track.o wrtclust.o srtclust.o noyes.o contact.o printmat.o \

25 int_from_cart1.o energy_p_new.o icant.o proc_proc.o work_partition.o \

26 setup_var.o read_ref_str.o gnmr1.o permut.o

28 all: no_option

29 @echo "Specify force field: GAB, 4P or E0LL2Y"

31 no_option:

33 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \

34 -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC

35 GAB: BIN = ../../../../bin/cluster/unres_clustMD-mult_ifort_MPICH_GAB.exe

36 GAB: ${object} xdrf/libxdrf.a

37 cc -o compinfo compinfo.c

38 ./compinfo | true

39 ${FC} ${FFLAGS} cinfo.f

40 $(FC) ${OPT} ${object} ${LIBS} -o ${BIN}

42 4P: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \

43 -DCLUST -DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC

44 4P: BIN = ../../../../bin/cluster/unres_clustMD-mult_ifort_MPICH_4P.exe

45 4P: ${object} xdrf/libxdrf.a

46 cc -o compinfo compinfo.c

47 ./compinfo | true

48 ${FC} ${FFLAGS} cinfo.f

49 $(FC) ${OPT} ${object} ${LIBS} -o ${BIN}

51 E0LL2Y: CPPFLAGS = -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \

52 -DCLUST -DSPLITELE -DLANG0

53 E0LL2Y: BIN = ../../../../bin/cluster/unres_clustMD-mult_ifort_MPICH_E0LL2Y.exe

54 E0LL2Y: ${object} xdrf/libxdrf.a

55 cc -o compinfo compinfo.c

56 ./compinfo | true

57 ${FC} ${FFLAGS} cinfo.f

58 $(FC) ${OPT} ${object} ${LIBS} -o ${BIN}

60 xdrf/libxdrf.a:

61 cd xdrf && make

64 clean:

65 /bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean