Difference between revisions of "VASP make"
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(Created page with "=== Makefile for VASP 5 === <source lang=make> .SUFFIXES: .inc .f .f90 .F SUFFIX=.f90 FC=mpif90 FCL=$(FC) FFLAGS = -free -lowercase -assume byterecl OFLAG=-O3 OFLAG_HIGH ...") |
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Line 2: | Line 2: | ||
<source lang=make> | <source lang=make> | ||
.SUFFIXES: .inc .f .f90 .F | .SUFFIXES: .inc .f .f90 .F | ||
+ | #----------------------------------------------------------------------- | ||
+ | # Makefile for Intel Fortran compiler at UF HPC | ||
+ | #----------------------------------------------------------------------- | ||
+ | |||
+ | # all CPP processed fortran files have the extension .f90 | ||
SUFFIX=.f90 | SUFFIX=.f90 | ||
− | FC=mpif90 | + | #----------------------------------------------------------------------- |
+ | # fortran compiler and linker | ||
+ | #----------------------------------------------------------------------- | ||
+ | FC=mpif90 | ||
FCL=$(FC) | FCL=$(FC) | ||
− | + | CPP_=fpp -f_com=no -free -w0 $*.F $*$(SUFFIX) | |
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
− | # | + | # possible options for CPP: |
− | # | + | # NGXhalf charge density reduced in X direction |
− | # | + | # wNGXhalf gamma point only reduced in X direction |
− | # | + | # avoidalloc avoid ALLOCATE if possible |
+ | # PGF90 work around some for some PGF90 / IFC bugs | ||
+ | # CACHE_SIZE 1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4, PD | ||
+ | # RPROMU_DGEMV use DGEMV instead of DGEMM in RPRO (depends on used BLAS) | ||
+ | # RACCMU_DGEMV use DGEMV instead of DGEMM in RACC (depends on used BLAS) | ||
+ | # tbdyn MD package of Tomas Bucko | ||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
− | |||
− | |||
− | |||
− | |||
− | CPP | + | CPP_=fpp -f_com=no -free -w0 $*.F $*$(SUFFIX) |
+ | CPP = $(CPP_) \ | ||
+ | -DHOST=\"Linux-UFHPC\" \ | ||
-DMPI \ | -DMPI \ | ||
-DIFC \ | -DIFC \ | ||
-DPGF90 \ | -DPGF90 \ | ||
− | |||
− | |||
-Davoidalloc \ | -Davoidalloc \ | ||
− | -DMPI_BLOCK=8000 | + | -DMPI_BLOCK=8000 \ |
-DCACHE_SIZE=4000 \ | -DCACHE_SIZE=4000 \ | ||
− | -DscaLAPACK | + | -Duse_collective \ |
+ | -DscaLAPACK | ||
+ | |||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
− | # | + | # optimization |
− | # | + | # we have tested whether higher optimisation improves performance |
− | # | + | # -axK SSE1 optimization, but also generate code executable on all mach. |
− | + | # xK improves performance somewhat on XP, and a is required in order | |
− | + | # to run the code on older Athlons as well | |
− | + | # -xW SSE2 optimization | |
+ | # -axW SSE2 optimization, but also generate code executable on all mach. | ||
+ | # -tpp6 P3 optimization | ||
+ | # -tpp7 P4 optimization | ||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
+ | FFLAGS = -free -names lowercase -assume byterecl | ||
+ | |||
+ | OFLAG=-O2 -xSSE2 -axSSE4.2,SSE4.1,SSSE3,SSE3 -unroll-aggressive -warn general | ||
+ | |||
+ | OFLAG_HIGH = $(OFLAG) | ||
+ | OBJ_HIGH = | ||
+ | OBJ_NOOPT = | ||
+ | DEBUG = -free -O0 | ||
+ | INLINE = $(OFLAG) | ||
+ | |||
+ | #------------------------------MKL-------------------------------------- | ||
+ | |||
+ | MKLDIR = $(HPC_MKL_DIR) | ||
+ | MKLLIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core | ||
+ | MKLLIBDIR = $(HPC_MKL_DIR)/lib/intel64 | ||
+ | MKL = -L$(MKLLIBDIR) $(MKLLIBS) | ||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
− | + | SCA = -lmkl_scalapack_lp64 | |
− | + | BLACS = -lmkl_blacs_openmpi_lp64 | |
− | SCA | ||
− | BLACS | ||
− | |||
SCALAPACK = $(SCA) $(BLACS) | SCALAPACK = $(SCA) $(BLACS) | ||
− | |||
− | |||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
# MKL FFTs w/ FFTW wrappers | # MKL FFTs w/ FFTW wrappers | ||
# | # | ||
− | FFTLIB = - | + | FFTLIB = -lfftw3xf |
− | |||
− | |||
− | |||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
+ | # Miscellaneous VASP routines | ||
+ | # | ||
+ | MISC = -Llib -ldmy | ||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
− | + | LIBS = $(FFTLIB) $(SCALAPACK) $(BLAS) $(MKL) $(MISC) | |
+ | RPATH = -Wl,-rpath -Wl,$(MKLDIR) | ||
+ | LINK = -shared-intel $(RPATH) | ||
− | |||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
+ | FFT3D = fftmpi_map.o fftmpiw.o fftw3d.o fft3dlib.o | ||
− | |||
− | |||
− | |||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
# general rules and compile lines | # general rules and compile lines | ||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
− | + | BASIC= symmetry.o symlib.o lattlib.o random.o | |
− | |||
− | |||
− | BASIC = | ||
− | SOURCE = base.o mpi.o smart_allocate.o xml.o \ | + | SOURCE= base.o mpi.o smart_allocate.o xml.o \ |
constant.o jacobi.o main_mpi.o scala.o \ | constant.o jacobi.o main_mpi.o scala.o \ | ||
− | asa.o lattice.o poscar.o ini.o | + | asa.o lattice.o poscar.o ini.o mgrid.o xclib.o vdw_nl.o xclib_grad.o \ |
− | radial.o pseudo.o | + | radial.o pseudo.o gridq.o ebs.o \ |
− | mkpoints.o wave.o wave_mpi.o wave_high.o \ | + | mkpoints.o wave.o wave_mpi.o wave_high.o spinsym.o \ |
$(BASIC) nonl.o nonlr.o nonl_high.o dfast.o choleski2.o \ | $(BASIC) nonl.o nonlr.o nonl_high.o dfast.o choleski2.o \ | ||
mix.o hamil.o xcgrad.o xcspin.o potex1.o potex2.o \ | mix.o hamil.o xcgrad.o xcspin.o potex1.o potex2.o \ | ||
− | + | constrmag.o cl_shift.o relativistic.o LDApU.o \ | |
− | paw_base.o egrad.o pawsym.o pawfock.o pawlhf.o | + | paw_base.o metagga.o egrad.o pawsym.o pawfock.o pawlhf.o rhfatm.o hyperfine.o paw. |
− | mkpoints_full.o charge.o dipol.o pot.o | + | o \ |
+ | mkpoints_full.o charge.o Lebedev-Laikov.o stockholder.o dipol.o pot.o \ | ||
dos.o elf.o tet.o tetweight.o hamil_rot.o \ | dos.o elf.o tet.o tetweight.o hamil_rot.o \ | ||
− | + | chain.o dyna.o k-proj.o sphpro.o us.o core_rel.o \ | |
aedens.o wavpre.o wavpre_noio.o broyden.o \ | aedens.o wavpre.o wavpre_noio.o broyden.o \ | ||
− | dynbr.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \ | + | dynbr.o hamil_high.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \ |
brent.o stufak.o fileio.o opergrid.o stepver.o \ | brent.o stufak.o fileio.o opergrid.o stepver.o \ | ||
− | chgloc.o fast_aug.o fock.o | + | chgloc.o fast_aug.o fock_multipole.o fock.o mkpoints_change.o sym_grad.o \ |
− | mymath.o internals.o dimer_heyden.o dvvtrajectory.o | + | mymath.o internals.o npt_dynamics.o dynconstr.o dimer_heyden.o dvvtrajectory.o vdwforcef |
− | + | ield.o \ | |
− | + | nmr.o pead.o subrot.o subrot_scf.o \ | |
+ | force.o pwlhf.o gw_model.o optreal.o steep.o davidson.o david_inner.o \ | ||
electron.o rot.o electron_all.o shm.o pardens.o paircorrection.o \ | electron.o rot.o electron_all.o shm.o pardens.o paircorrection.o \ | ||
optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o \ | optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o \ | ||
hamil_lr.o rmm-diis_lr.o subrot_cluster.o subrot_lr.o \ | hamil_lr.o rmm-diis_lr.o subrot_cluster.o subrot_lr.o \ | ||
lr_helper.o hamil_lrf.o elinear_response.o ilinear_response.o \ | lr_helper.o hamil_lrf.o elinear_response.o ilinear_response.o \ | ||
− | linear_optics.o | + | linear_optics.o \ |
setlocalpp.o wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o \ | setlocalpp.o wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o \ | ||
− | ratpol.o screened_2e.o wave_cacher.o chi_base.o wpot.o local_field.o \ | + | mlwf.o ratpol.o screened_2e.o wave_cacher.o chi_base.o wpot.o \ |
− | + | local_field.o ump2.o ump2kpar.o fcidump.o ump2no.o \ | |
+ | bse_te.o bse.o acfdt.o chi.o sydmat.o dmft.o \ | ||
+ | rmm-diis_mlr.o linear_response_NMR.o wannier_interpol.o linear_response.o | ||
− | + | INCS = -I$(MKLDIR)/include/fftw | |
− | + | vasp: $(SOURCE) $(FFT3D) $(INC) main.o | |
− | vasp: $(SOURCE) $( | + | rm -f vasp |
− | + | $(FCL) -o vasp main.o $(SOURCE) $(FFT3D) $(LINK) $(LIBS) | |
− | + | makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC) | |
− | makeparam: $(SOURCE) $( | + | $(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIBS) |
− | |||
zgemmtest: zgemmtest.o base.o random.o $(INC) | zgemmtest: zgemmtest.o base.o random.o $(INC) | ||
− | + | $(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIBS) | |
dgemmtest: dgemmtest.o base.o random.o $(INC) | dgemmtest: dgemmtest.o base.o random.o $(INC) | ||
− | + | $(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIBS) | |
− | ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $( | + | ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC) |
− | + | $(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $ | |
− | kpoints: $(SOURCE) $( | + | (LIBS) |
− | + | kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC) | |
+ | $(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIBS) | ||
− | clean: | + | clean: |
− | + | -rm -f *.g *.f *.o *.L *.mod ; touch *.F | |
main.o: main$(SUFFIX) | main.o: main$(SUFFIX) | ||
− | + | $(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX) | |
xcgrad.o: xcgrad$(SUFFIX) | xcgrad.o: xcgrad$(SUFFIX) | ||
− | + | $(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX) | |
xcspin.o: xcspin$(SUFFIX) | xcspin.o: xcspin$(SUFFIX) | ||
− | + | $(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX) | |
makeparam.o: makeparam$(SUFFIX) | makeparam.o: makeparam$(SUFFIX) | ||
− | + | $(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX) | |
makeparam$(SUFFIX): makeparam.F main.F | makeparam$(SUFFIX): makeparam.F main.F | ||
+ | # | ||
+ | # MIND: I do not have a full dependency list for the include | ||
+ | # and MODULES: here are only the minimal basic dependencies | ||
+ | # if one strucuture is changed then touch_dep must be called | ||
+ | # with the corresponding name of the structure | ||
# | # | ||
base.o: base.inc base.F | base.o: base.inc base.F | ||
Line 152: | Line 170: | ||
setex.o: setexm.inc setex.F | setex.o: setexm.inc setex.F | ||
pseudo.o: pseudo.inc pseudo.F | pseudo.o: pseudo.inc pseudo.F | ||
− | |||
mkpoints.o: mkpoints.inc mkpoints.F | mkpoints.o: mkpoints.inc mkpoints.F | ||
− | wave.o: | + | wave.o: wave.F |
nonl.o: nonl.inc nonl.F | nonl.o: nonl.inc nonl.F | ||
nonlr.o: nonlr.inc nonlr.F | nonlr.o: nonlr.inc nonlr.F | ||
$(OBJ_HIGH): | $(OBJ_HIGH): | ||
− | + | $(CPP) | |
− | + | $(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX) | |
$(OBJ_NOOPT): | $(OBJ_NOOPT): | ||
− | + | $(CPP) | |
− | + | $(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX) | |
fft3dlib_f77.o: fft3dlib_f77.F | fft3dlib_f77.o: fft3dlib_f77.F | ||
− | + | $(CPP) | |
− | + | $(F77) $(FFLAGS_F77) -c $*$(SUFFIX) | |
.F.o: | .F.o: | ||
− | + | $(CPP) | |
− | + | $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX) | |
.F$(SUFFIX): | .F$(SUFFIX): | ||
− | + | $(CPP) | |
$(SUFFIX).o: | $(SUFFIX).o: | ||
− | + | $(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX) | |
# special rules | # special rules | ||
#----------------------------------------------------------------------- | #----------------------------------------------------------------------- | ||
+ | # these special rules have been tested for ifc.11 and ifc.12 only | ||
fft3dlib.o : fft3dlib.F | fft3dlib.o : fft3dlib.F | ||
− | + | $(CPP) | |
− | + | $(FC) -FR -lowercase -O2 -c $*$(SUFFIX) | |
fft3dfurth.o : fft3dfurth.F | fft3dfurth.o : fft3dfurth.F | ||
− | + | $(CPP) | |
− | + | $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) | |
− | + | fftw3d.o : fftw3d.F | |
− | + | $(CPP) | |
− | + | $(FC) -FR -lowercase -O1 $(INCS) -c $*$(SUFFIX) | |
− | + | fftmpi.o : fftmpi.F | |
− | + | $(CPP) | |
− | + | $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) | |
− | + | fftmpiw.o : fftmpiw.F | |
− | + | $(CPP) | |
− | + | $(FC) -FR -lowercase -O1 $(INCS) -c $*$(SUFFIX) | |
− | + | wave_high.o : wave_high.F | |
− | + | $(CPP) | |
− | + | $(FC) -FR -lowercase -O1 -c $*$(SUFFIX) | |
− | + | # the following rules are probably no longer required (-O3 seems to work) | |
− | |||
− | |||
− | |||
− | |||
wave.o : wave.F | wave.o : wave.F | ||
− | + | $(CPP) | |
− | + | $(FC) -FR -lowercase -O2 -c $*$(SUFFIX) | |
− | + | paw.o : paw.F | |
− | + | $(CPP) | |
− | + | $(FC) -FR -lowercase -O2 -c $*$(SUFFIX) | |
− | + | cl_shift.o : cl_shift.F | |
− | + | $(CPP) | |
− | + | $(FC) -FR -lowercase -O2 -c $*$(SUFFIX) | |
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
us.o : us.F | us.o : us.F | ||
− | + | $(CPP) | |
− | + | $(FC) -FR -lowercase -O2 -c $*$(SUFFIX) | |
+ | LDApU.o : LDApU.F | ||
+ | $(CPP) | ||
+ | $(FC) -FR -lowercase -O2 -c $*$(SUFFIX) | ||
− | |||
− | |||
− | |||
</source> | </source> |
Revision as of 20:31, 14 January 2014
Makefile for VASP 5
.SUFFIXES: .inc .f .f90 .F
#-----------------------------------------------------------------------
# Makefile for Intel Fortran compiler at UF HPC
#-----------------------------------------------------------------------
# all CPP processed fortran files have the extension .f90
SUFFIX=.f90
#-----------------------------------------------------------------------
# fortran compiler and linker
#-----------------------------------------------------------------------
FC=mpif90
FCL=$(FC)
CPP_=fpp -f_com=no -free -w0 $*.F $*$(SUFFIX)
#-----------------------------------------------------------------------
# possible options for CPP:
# NGXhalf charge density reduced in X direction
# wNGXhalf gamma point only reduced in X direction
# avoidalloc avoid ALLOCATE if possible
# PGF90 work around some for some PGF90 / IFC bugs
# CACHE_SIZE 1000 for PII,PIII, 5000 for Athlon, 8000-12000 P4, PD
# RPROMU_DGEMV use DGEMV instead of DGEMM in RPRO (depends on used BLAS)
# RACCMU_DGEMV use DGEMV instead of DGEMM in RACC (depends on used BLAS)
# tbdyn MD package of Tomas Bucko
#-----------------------------------------------------------------------
CPP_=fpp -f_com=no -free -w0 $*.F $*$(SUFFIX)
CPP = $(CPP_) \
-DHOST=\"Linux-UFHPC\" \
-DMPI \
-DIFC \
-DPGF90 \
-Davoidalloc \
-DMPI_BLOCK=8000 \
-DCACHE_SIZE=4000 \
-Duse_collective \
-DscaLAPACK
#-----------------------------------------------------------------------
# optimization
# we have tested whether higher optimisation improves performance
# -axK SSE1 optimization, but also generate code executable on all mach.
# xK improves performance somewhat on XP, and a is required in order
# to run the code on older Athlons as well
# -xW SSE2 optimization
# -axW SSE2 optimization, but also generate code executable on all mach.
# -tpp6 P3 optimization
# -tpp7 P4 optimization
#-----------------------------------------------------------------------
FFLAGS = -free -names lowercase -assume byterecl
OFLAG=-O2 -xSSE2 -axSSE4.2,SSE4.1,SSSE3,SSE3 -unroll-aggressive -warn general
OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =
OBJ_NOOPT =
DEBUG = -free -O0
INLINE = $(OFLAG)
#------------------------------MKL--------------------------------------
MKLDIR = $(HPC_MKL_DIR)
MKLLIBS = -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
MKLLIBDIR = $(HPC_MKL_DIR)/lib/intel64
MKL = -L$(MKLLIBDIR) $(MKLLIBS)
#-----------------------------------------------------------------------
SCA = -lmkl_scalapack_lp64
BLACS = -lmkl_blacs_openmpi_lp64
SCALAPACK = $(SCA) $(BLACS)
#-----------------------------------------------------------------------
# MKL FFTs w/ FFTW wrappers
#
FFTLIB = -lfftw3xf
#-----------------------------------------------------------------------
# Miscellaneous VASP routines
#
MISC = -Llib -ldmy
#-----------------------------------------------------------------------
LIBS = $(FFTLIB) $(SCALAPACK) $(BLAS) $(MKL) $(MISC)
RPATH = -Wl,-rpath -Wl,$(MKLDIR)
LINK = -shared-intel $(RPATH)
#-----------------------------------------------------------------------
FFT3D = fftmpi_map.o fftmpiw.o fftw3d.o fft3dlib.o
#-----------------------------------------------------------------------
# general rules and compile lines
#-----------------------------------------------------------------------
BASIC= symmetry.o symlib.o lattlib.o random.o
SOURCE= base.o mpi.o smart_allocate.o xml.o \
constant.o jacobi.o main_mpi.o scala.o \
asa.o lattice.o poscar.o ini.o mgrid.o xclib.o vdw_nl.o xclib_grad.o \
radial.o pseudo.o gridq.o ebs.o \
mkpoints.o wave.o wave_mpi.o wave_high.o spinsym.o \
$(BASIC) nonl.o nonlr.o nonl_high.o dfast.o choleski2.o \
mix.o hamil.o xcgrad.o xcspin.o potex1.o potex2.o \
constrmag.o cl_shift.o relativistic.o LDApU.o \
paw_base.o metagga.o egrad.o pawsym.o pawfock.o pawlhf.o rhfatm.o hyperfine.o paw.
o \
mkpoints_full.o charge.o Lebedev-Laikov.o stockholder.o dipol.o pot.o \
dos.o elf.o tet.o tetweight.o hamil_rot.o \
chain.o dyna.o k-proj.o sphpro.o us.o core_rel.o \
aedens.o wavpre.o wavpre_noio.o broyden.o \
dynbr.o hamil_high.o rmm-diis.o reader.o writer.o tutor.o xml_writer.o \
brent.o stufak.o fileio.o opergrid.o stepver.o \
chgloc.o fast_aug.o fock_multipole.o fock.o mkpoints_change.o sym_grad.o \
mymath.o internals.o npt_dynamics.o dynconstr.o dimer_heyden.o dvvtrajectory.o vdwforcef
ield.o \
nmr.o pead.o subrot.o subrot_scf.o \
force.o pwlhf.o gw_model.o optreal.o steep.o davidson.o david_inner.o \
electron.o rot.o electron_all.o shm.o pardens.o paircorrection.o \
optics.o constr_cell_relax.o stm.o finite_diff.o elpol.o \
hamil_lr.o rmm-diis_lr.o subrot_cluster.o subrot_lr.o \
lr_helper.o hamil_lrf.o elinear_response.o ilinear_response.o \
linear_optics.o \
setlocalpp.o wannier.o electron_OEP.o electron_lhf.o twoelectron4o.o \
mlwf.o ratpol.o screened_2e.o wave_cacher.o chi_base.o wpot.o \
local_field.o ump2.o ump2kpar.o fcidump.o ump2no.o \
bse_te.o bse.o acfdt.o chi.o sydmat.o dmft.o \
rmm-diis_mlr.o linear_response_NMR.o wannier_interpol.o linear_response.o
INCS = -I$(MKLDIR)/include/fftw
vasp: $(SOURCE) $(FFT3D) $(INC) main.o
rm -f vasp
$(FCL) -o vasp main.o $(SOURCE) $(FFT3D) $(LINK) $(LIBS)
makeparam: $(SOURCE) $(FFT3D) makeparam.o main.F $(INC)
$(FCL) -o makeparam $(LINK) makeparam.o $(SOURCE) $(FFT3D) $(LIBS)
zgemmtest: zgemmtest.o base.o random.o $(INC)
$(FCL) -o zgemmtest $(LINK) zgemmtest.o random.o base.o $(LIBS)
dgemmtest: dgemmtest.o base.o random.o $(INC)
$(FCL) -o dgemmtest $(LINK) dgemmtest.o random.o base.o $(LIBS)
ffttest: base.o smart_allocate.o mpi.o mgrid.o random.o ffttest.o $(FFT3D) $(INC)
$(FCL) -o ffttest $(LINK) ffttest.o mpi.o mgrid.o random.o smart_allocate.o base.o $(FFT3D) $
(LIBS)
kpoints: $(SOURCE) $(FFT3D) makekpoints.o main.F $(INC)
$(FCL) -o kpoints $(LINK) makekpoints.o $(SOURCE) $(FFT3D) $(LIBS)
clean:
-rm -f *.g *.f *.o *.L *.mod ; touch *.F
main.o: main$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c main$(SUFFIX)
xcgrad.o: xcgrad$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcgrad$(SUFFIX)
xcspin.o: xcspin$(SUFFIX)
$(FC) $(FFLAGS) $(INLINE) $(INCS) -c xcspin$(SUFFIX)
makeparam.o: makeparam$(SUFFIX)
$(FC) $(FFLAGS)$(DEBUG) $(INCS) -c makeparam$(SUFFIX)
makeparam$(SUFFIX): makeparam.F main.F
#
# MIND: I do not have a full dependency list for the include
# and MODULES: here are only the minimal basic dependencies
# if one strucuture is changed then touch_dep must be called
# with the corresponding name of the structure
#
base.o: base.inc base.F
mgrid.o: mgrid.inc mgrid.F
constant.o: constant.inc constant.F
lattice.o: lattice.inc lattice.F
setex.o: setexm.inc setex.F
pseudo.o: pseudo.inc pseudo.F
mkpoints.o: mkpoints.inc mkpoints.F
wave.o: wave.F
nonl.o: nonl.inc nonl.F
nonlr.o: nonlr.inc nonlr.F
$(OBJ_HIGH):
$(CPP)
$(FC) $(FFLAGS) $(OFLAG_HIGH) $(INCS) -c $*$(SUFFIX)
$(OBJ_NOOPT):
$(CPP)
$(FC) $(FFLAGS) $(INCS) -c $*$(SUFFIX)
fft3dlib_f77.o: fft3dlib_f77.F
$(CPP)
$(F77) $(FFLAGS_F77) -c $*$(SUFFIX)
.F.o:
$(CPP)
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
.F$(SUFFIX):
$(CPP)
$(SUFFIX).o:
$(FC) $(FFLAGS) $(OFLAG) $(INCS) -c $*$(SUFFIX)
# special rules
#-----------------------------------------------------------------------
# these special rules have been tested for ifc.11 and ifc.12 only
fft3dlib.o : fft3dlib.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
fft3dfurth.o : fft3dfurth.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
fftw3d.o : fftw3d.F
$(CPP)
$(FC) -FR -lowercase -O1 $(INCS) -c $*$(SUFFIX)
fftmpi.o : fftmpi.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
fftmpiw.o : fftmpiw.F
$(CPP)
$(FC) -FR -lowercase -O1 $(INCS) -c $*$(SUFFIX)
wave_high.o : wave_high.F
$(CPP)
$(FC) -FR -lowercase -O1 -c $*$(SUFFIX)
# the following rules are probably no longer required (-O3 seems to work)
wave.o : wave.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
paw.o : paw.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
cl_shift.o : cl_shift.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
us.o : us.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)
LDApU.o : LDApU.F
$(CPP)
$(FC) -FR -lowercase -O2 -c $*$(SUFFIX)