[CPMD-list] CPMD parallel scalability
Maurice de Koning
dekoning at ifi.unicamp.br
Mon Apr 14 20:19:35 CET 2008
Hi,
Here is the output file obtained on 16 CPU´s.
Cheers,
Maurice
Alessandro Curioni wrote:
>
> Maurice,
>
> can you post please also your output for the run with 16 processors ?
>
> Alessandro
>
> PS
>
> From what I see here the previous suspect about performance at
> application level seems to come out - in spite one have a very good
> alltoall performance - there
> is a very very bad bad performance for allreduce ....... and the
> indirect memory access in the FFT gather and scatter probably kill
> the numa memory subsystem ....
> But would need to see scaling for this terms to be sure ...
>
>
>
>
>
>
>
> *Maurice de Koning <dekoning at ifi.unicamp.br>*
> Sent by: cpmd-list-bounces at cpmd.org
>
> 04/14/2008 07:51 PM
>
>
> To
> cpmd-list at cpmd.org
> cc
>
> Subject
> Re: [CPMD-list] CPMD parallel scalability
>
>
>
>
>
>
>
>
>
> Hi everyone,
>
> I have attached the following 3 files:
>
> 1) The makefile used to compile CPMD
> 2) The full input file
> 3) Output file generated on 8 CPU´s
>
> All runs were executed using
>
> mpirun -np 8 dplace -s1 -c0-7 ~/cpmd.x LiquidCPMD.inp > LiquidCPMD.out
>
> Cheers,
>
> Maurice
>
> Axel Kohlmeyer wrote:
> > On Mon, 14 Apr 2008, Maurice de Koning wrote:
> >
> > maurice,
> >
> > MdK> Hi all,
> > MdK>
> > MdK> I´m running CPMD on an Altix 4700 system with 44 CPU´s and 88
> Gb of RAM
> > MdK> memory.
> > MdK> At the moment I´m running a CP MD run of a cell containing 96
> water
> > MdK> molecules using the
> > MdK> BLYP functional at 300 K. I noticed that the scalability is not
> very
> > MdK> good. If I run on more than
> >
> > please check carefully how your job is propagated through the
> > machine and what settings you use to compile and what tools.
> >
> > i have access to an very new altix4700 and noticed some oddities.
> >
> > - when using intel MKL you have to set OMP_NUM_THREADS to 1 or else
> > MKL will try to multi-thread across the whole machine or at least
> > across one blade (two dual-core cpus). if that overlaps with your
> > MPI parallelization you are screwed.
> >
> > BTW: regardless of your sysadmins tell you, don't compile in OpenMP,
> > and better link MKL without threading support. i tried a hybrid
> > compile and it does work, but its performance is inferior to MPI.
> >
> > - make sure that you use SGI's MPI. i tried compiling my own MPI
> > because of a bug in SGI's MPI that affects path-integrals in CPMD,
> > but those jobs would not go across more than one blade (= 4cpus).
> >
> > - check that you have enough memory (i.e. that nobody else is using
> > excessive amounts of memory). using more cpus with increase the
> > total memory usage and on top of that the SGI mpi will create
> > large RDMA buffers across the whole address space for each MPI task
> > unless instructed via environment variable to not do so.
> >
> > MdK> about 16 CPU´s, the time per MD step starts even increases,
> such that
> > MdK> the total time starts growing with the
> >
> > on most linux machine the TCPU number is pretty much useless,
> > particularly with multi-threading (as it includes the combined
> > cpu time of all threads but not the time spent, e.g. swapping).
> > always check the ELAPSED TIME at the end.
> >
> > MdK> number of CPU´s. Is there anything I can do about this?
> >
> > as alessandro already mentioned, your system should scale
> > well. thus experience tells us that your scaling problems
> > are either a problem of the machine setup or of the way how
> > you run your job or of how you compiled the exectutable. unless
> > your provide more details, nobody will be able to give a
> > specific advice. there is just too much guesswork needed.
> >
> > MdK> Below is a part of the input script
> >
> > this is useless and quoting incomplete inputs is turning into
> > a IMNSHO really bad habit on this list. _if_ you made an error
> > in the input it is most likely in the part that you didn't quote.
> >
> > so either post the whole file, or make it available via some webserver
> > or don't post anything, or even better use one of the test examples
> from
> > CPMD-test archive. we know they work, everybody can download them if
> > needed and many of us already have done tests with them.
> >
> > thanks,
> > axel.
> >
> >
> > MdK>
> > MdK> Cheers,
> > MdK>
> > MdK> Maurice
> > MdK>
> >
> >
>
> #----------------------------------------------------------------------------
> # Makefile for cpmd.x (plane wave electronic calculation)
> # Configuration: SGI-ALTIX3900-MPI
> # Creation of Makefile: Apr 11 2008
> # on Linux sg2gq1 2.6.5-7.244-sn2 #1 SMP Mon Dec 12 18:32:25 UTC 2005
> ia64 ia64 ia64 GNU/Linux
> # Author: dekoning
> #----------------------------------------------------------------------------
> #
> SHELL = /bin/sh
> #
> #--------------- Default Configuration for SGI-ALTIX3900-MPI
> ---------------
> SRC = .
> DEST = .
> BIN = .
> FFLAGS = -c -O3 -r8 -align dcommons -fpp
> LFLAGS = -L/opt/intel/mkl/8.0/lib/64 -lmkl_lapack -lmkl -lguide -lm -lmpi
> CFLAGS = -c -O3 -Wall
> CPP = /usr/bin/cpp -E -P -traditional
> CPPFLAGS = -D__Linux -D__ALTIX -DFFT_DEFAULT -DPARALLEL -DPOINTER8
> -DINTELMKL
> NOOPT_FLAG =
> CC = icc
> FC = ifort
> LD = ifort
> AR = ar
> #----------------------------------------------------------------------------
> # Personal Configuration
> #----------------------------------------------------------------------------
>
> #FFLAGS = -c -O3 -ip -IPF-fp-relaxed -g -mP2OPT_hlo_level=2
> -safe_cray_ptr -r8 -w90 -w95 -tpp2 -ftz -align all -ip -assume byterecl
> #LFLAGS = -lmpi -L/opt/intel/mkl/8.0/lib/64 -lmkl_ipf -lmkl_lapack
> -lmkl_ipf -lpthread -lguide -L/sw/sdev/mpt-ia64/1.12/lib -lmpi
> $(QMMM_LIBS)
>
> FFLAGS = -c -O3 -ip -IPF-fp-relaxed -mP2OPT_hlo_level=2
> -safe_cray_ptr -r8 -w90 -w95 -tpp2 -ftz -align all -ip -assume byterecl
> LFLAGS = -L/usr/local/intel/cmkl/8.0/8.0.1.006/lib/64 -lmkl
> -lmkl_lapack -lmkl_ipf -lpthread -lguide -L/sw/sdev/mpt-ia64/1.12/lib
> -lmpi $(QMMM_LIBS)
>
> #----------------------------------------------------------------------------
> # End of Personal Configuration
> #----------------------------------------------------------------------------
> CFGDEST = .
> CFGMACH = SGI-ALTIX3900-MPI
> CFGQMMM =
> #
> # LIST OF FILES
> #
> OBJECTS = $(OBJ_AL) $(OBJ_WF) $(OBJ_GM) $(OBJ_MD) $(OBJ_MT) \
> $(OBJ_KS) $(OBJ_VA) $(OBJ_PP) $(OBJ_VD) $(OBJ_NC) \
> $(OBJ_PA) $(OBJ_IS) $(OBJ_ST) $(OBJ_SY) $(OBJ_AT) \
> $(OBJ_LA) $(OBJ_KP) $(OBJ_PI) $(OBJ_PM) $(OBJ_CL) \
> $(OBJ_PE) $(OBJ_KD) $(OBJ_MM) $(OBJ_VW) $(OBJ_BS) \
> $(OBJ_SH) $(INTERFACE_OBJECTS)
> OBJ_AL = softex.o envir.o setcnst.o azzero.o control.o \
> control_def.o control_pri.o control_bcast.o control_test.o \
> header.o inscan.o memory.o freem.o readsr.o timer.o \
> ttimp.o timec.o stopgm.o util.o dftin.o sysin.o ratom.o \
> recpnew.o recpupf.o ghermit.o detsp.o coninp.o prmem.o setsys.o \
> genxc.o setsc.o numpw.o cry.o latgen.o recips.o \
> functionals.o lsd_func.o saop.o rinit.o rinforce.o \
> rggen.o formf.o rnlset.o ylmr.o glopar.o rnlin.o \
> radin.o bessm.o ylmr2.o pbc.o ortho.o finalp.o forcep.o \
> rhopri.o phfac.o wrener.o rrane.o ranp.o rinitwf.o \
> wrgeo.o rnlsm1.o rnlsm2.o forces.o lowdin.o \
> rgs.o rgsvan.o atomwf.o atrho.o xcener.o graden.o gcener.o \
> hesele.o noforce.o rhoofr.o vpsi.o nlforce.o rotate.o \
> hnlmat.o ovlap.o dotp.o fnonloc.o gsize.o csize.o rscpot.o \
> csmat.o ksmat.o vofrho.o vofrhoa.o vofrhob.o vofrhoh.o \
> vofrhot.o vofrhoc.o initclust.o jacobi.o rnlrh.o rnlfor.o \
> potfor.o ppener.o reigs.o geofile.o rpiiint.o eicalc.o testex.o \
> densto.o proja.o atoms.o fitpack.o wv30.o rv30.o wr30wfn.o \
> setbasis.o nfunc.o gcxctbl.o hfx.o debfor.o \
> rhoofr_c.o jacobi_c.o velocitinp.o setirec.o compress.o
> interp3d.o \
> ptheory.o clinbcg.o elstpo.o exterp.o mulliken.o espchg.o \
> atomc.o eextern.o interpt.o egointer.o fileopen.o scratch.o \
> forcedr.o initrun.o ldos.o fnlalloc.o dqgalloc.o anneal.o \
> rnlsm.o vofrhos.o get_addr.o teststore.o loadse.o rnlsmd.o \
> wfnio.o density_functionals.o sort.o wrintf.o fftnew.o \
> fftmain.o fftutil.o fftchk.o fftprp.o fft3d.o mltfft.o gfft.o \
> gfftmain.o esslfft.o x1fft.o hpfft.o ympfft.o t3dfft.o
> scslfft.o fftwfft.o \
> densrd.o eam_pot.o tauofr.o vtaupsi.o metafun.o ainitwf.o
> dginit.o \
> kin_energy.o vpsi_lse.o disortho.o linalg.o norhoe.o
> #WaveFunctions optimization
> OBJ_WF = wfopts.o rwfopt.o updwf.o odiis.o pcgrad.o \
> k_updwf.o k_odiis.o k_forces.o k_hesele.o k_pcgrad.o \
> k_diis_rhofix.o
> #GeoMetry optimisation
> OBJ_GM = gmopts.o rgmopt.o fstart.o struc.o empfor.o puttau.o constr.o \
> rrfo.o rbfgs.o rgdiis.o sdion.o hessin.o hessout.o hessup.o \
> dum2.o detdof.o cnstfc.o fixcom.o cnstpr.o moverho.o \
> elf.o lsd_elf.o rlbfgs.o rprfo.o adapttol.o
> #MeTadynamics
> OBJ_MT = meta_hpot.o meta_dyn_def.o meta_colvar.o meta_colvar_inp.o \
> meta_colvar_util.o meta_exlagr.o meta_exlagr_util.o meta_cv.o \
> meta_cv_qmmm.o tst2min.o tst2min_inp.o chain_dr.o meta_cell.o \
> meta_exl_mult.o meta_ex_mul_util.o meta_localizespin.o
> #Molecular Dynamics
> OBJ_MD = mdpt.o mdmain.o dynit.o shake.o rattle.o resetac.o dispp.o
> nosalloc.o \
> noseinit.o nospinit.o noseng.o nosepa.o noseup.o enosmove.o
> pnosmove.o \
> ekinpp.o freqs.o printave.o printp.o rekine.o rinvel.o rscvp.o \
> rscve.o deort.o quenbo.o velupa.o velupi.o posupa.o posupi.o
> rortog.o \
> rortv.o crotwf.o noscinit.o prpcnosmove.o prpcmove.o
> prpnosmove.o \
> prcnosmove.o ddipo.o kddipo.o opeigr.o opeigr_c.o sample.o
> sd_wannier.o \
> wannier_center.o wannier_print.o purge.o wc_dos.o comvel.o
> rotvel.o \
> printfor.o
> #Kohn-Sham energies
> OBJ_KS = davidson.o ksdiag.o vgsortho.o hpsi.o spsi.o \
> gsortho.o rhov1.o
> #Vibrational Analysis
> OBJ_VA = secdpt.o secder.o sdlinres.o sd_ii.o sd_loc2.o sd_nl2.o
> rnlsm_2d.o \
> nl_res.o sd_loc.o sd_nl.o rho1ofr.o v1ofrho1.o lr_force.o \
> opt_lr.o lr_upd.o dd_xc.o eind_ii.o eind_loc.o eind_nl.o
> lr_in.o \
> lr_xcpot.o lr_ortho.o lr_pcg.o canon.o lr_tddft.o vibana.o \
> dd_xc_ana.o dd_functionals.o
> #ProPerties calculations
> OBJ_PP = proppt.o prowfn.o dipo.o lodipo.o exdipo.o cmaos.o difrho.o \
> conduct.o polarise.o calc_pij.o localize.o jrotation.o \
> orbhard.o ohfd.o ohlr.o specpt.o td_dav.o td_rdiis.o
> td_nhdav.o lr_diag.o \
> vhk.o gettrans.o rho1pri.o rw_linres.o td_force.o tdnlfor.o \
> td_pcg.o orbrot.o vtd2.o stcop.o afbdr.o td_os.o td_os_berry.o \
> td_prop.o g_loc_util.o wfn_print.o znum_mat.o \
> g_loc_spread_ide.o g_loc_exp_ide.o g_loc_optim.o \
> u_upd_spread.o u_upd_exp.o g_loc_dr.o g_loc_exp_sum.o \
> u_upd_exp_sum.o g_loc_spread_sum.o u_upd_spread_sum.o \
> g_loc_realspace.o g_loc_xyzmat.o g_loc_opeigr.o efield.o
> molorb.o \
> molstates.o epr_efg.o core_spect.o potmed.o
> #PErturbation theory
> OBJ_PE = h0psi1_p.o v1ofrho_p.o fnonloc_p.o \
> mddiag-interaction_p.o gndstate_p.o legendre_p.o \
> interaction_p.o interaction_manno_p.o \
> rotate_my_wannier_manno_p.o rotate_my_wannier_para_p.o
> simple_model_p.o \
> hess_eta_p.o inr_dr.o lanc_phon_p.o \
> v1xc_p.o hesele_p.o do_perturbation_p.o zdiis.o \
> pcgrad_p.o odiis_p.o rnlsm_p.o vpsi_p.o perturbation_p.o \
> eigensystem_p.o phonons_p.o rwfopt_p.o d_mat_p.o \
> updwf_p.o forces_p.o rhoofr_p.o raman_p.o opeigr_p.o \
> nmr_p.o nmr_util_p.o nmr_chi_p.o nmr_shift_p.o nmr_current_p.o \
> nmr_para_p.o nmr_full_p.o nmr_position_p.o util_p.o \
> hardness_p.o respin_p.o response_p.o restart_p.o \
> pert_kpoint_p.o dnlpdk_p.o rnl_dk_p.o \
> kpert_potential_p.o up3_p.o friesner_c_p.o \
> matrix_p.o ks_ener_p.o kpert_util_p.o fukui_p.o mdfile.o \
> epr_p.o epr_current_p.o epr_util_p.o epr_hyp.o epr_dv0.o \
> epr_effpot.o
> #VanDerbilt pseudopotentials
> OBJ_VD = readvan.o aainit.o vdbinit.o rhov.o qvan1.o qvan2.o \
> newd.o rnlfl.o augchg.o
> #Non-linear Core correction
> OBJ_NC = nlccset.o copot.o corec.o cofor.o nlccstr.o
> #PArallel work
> OBJ_PA = startpa.o loadpa.o sumfnl.o glosum.o summat.o my_para.o \
> glomax.o glomin.o groups.o
> #ISolated system
> OBJ_IS = hipin.o hip.o mtin.o
> #STress tensor calculation
> OBJ_ST = stress.o vlocst.o htrstr.o xcstr.o drhov.o \
> nlsl.o nlsm1_s.o dqvan2.o dylmr.o ffsum.o qrada_s.o \
> totstr.o putbet.o ranc.o newcell.o sdcell.o prpt.o prcpmd.o \
> npt_md.o
> #SYmmetry
> OBJ_SY = symmetry.o chksym.o symtrz.o multtb.o molsym.o
> #ATomic
> OBJ_AT = lsfbtr.o
> #LAnczos diagonalisation
> OBJ_LA = friesner.o friesner_c.o ehpsi.o rrandd.o updrho.o
> anderson.o \
> adjmu.o forces_diag.o mddiag.o extrap.o bogol.o
> calc_alm.o \
> vbeta.o rhodiis.o rwswap.o frsblk.o frsblk_c.o \
> mixing_r.o mixing_g.o broyden.o
> #KPoints
> OBJ_KP = enbandpri.o rkpnt.o k290.o k290_2.o kpclean.o
> #Path Integral
> OBJ_PI = pi_cntl.o pi_init.o pi_mdpt.o pi_wf.o pi_md.o pi_diag.o \
> rreadf.o repgen.o \
> fharm.o global.o stagetrans.o pinmtrans.o getfu.o getfnm.o \
> getgyr.o getcor.o prtgyr.o evirial.o wr_temps.o
> #Path Minimisation
> OBJ_PM = pm_cntl.o pm_init.o pm_wf.o pm_gmopts.o
> #KdP Theory
> OBJ_KD = kdp_diag.o kdp_prep.o kdp_rho.o kdp_stress_kin.o kdpoints.o \
> rhoofr_kdp.o
> #QMMM Code
> OBJ_MM = mm_init.o mm_dim.o mm_qmmm_forcedr.o mm_mdmain.o \
> mm_cpmd_add_MM_forces_f77.o mm_cpmd_esp_charges_f77.o \
> mm_cpmd_ext_pot_f77.o mm_mddiag.o mm_forces_diag.o \
> mm_rho_forcedr.o td_mm_qmmm_forcedr.o mm_qmmm_forcedr_bs.o
> #CLassical dynamics
> OBJ_CL = cl_init.o mdclas.o readff.o clas_force.o
> #Van der Waals correction
> OBJ_VW = vdwin.o vdw.o
> #Broken Symmetry
> OBJ_BS = bs_forces_diag.o bswfo.o lsforce.o setbsstate.o wrccfl.o
> #Surface Hopping
> OBJ_SH = mdshop_cp.o mdshop_bo.o mm_mdshop_cp.o mm_mdshop_bo.o \
> fusion.o rk4ov.o shop_adds.o
> #C Code
> OBJ_CC = sysdepend.o
>
> #----------------------------------------------------------------------------
> # LIST OF INCLUDE FILES
> #----------------------------------------------------------------------------
> INCFILES = system.h adat.inc atom.inc atwf.inc bc.inc benc.inc
> aavan.inc \
> cell.inc cnst.inc coor.inc cotr.inc \
> cppt.inc cvan.inc dipo.inc dpot.inc elct.inc empf.inc \
> ener.inc envj.inc fileopen.inc fft.inc func.inc geq0.inc \
> gvec.inc harm.inc head.inc ions.inc irat.h irat.inc \
> isos.inc kpnt.inc kpts.inc lodp.inc metr.inc movi.inc nlcc.inc \
> nlps.inc norm.inc nort.inc nose.inc prden.inc \
> prop.inc pslo.inc qspl.inc ragg.inc pstat.inc \
> rmas.inc ropt.inc rswf.inc sfac.inc simul.inc soft.inc \
> spin.inc str2.inc strs.inc tbxc.inc time.inc struc.inc \
> tpar.inc vdbp.inc vdbt.inc symm.inc prcp.inc poin.inc \
> memc.inc sgpp.inc filn.inc andr.inc broy.inc fint.inc \
> cray_mpp.inc ddip.inc epot.inc efld.inc efld2.inc \
> extpot.inc pimd.inc scrp.inc clas.inc store.inc atimes.inc \
> pola.inc condu.inc swap.inc ldos.inc sphe.inc fcas.inc \
> temps.inc elct2.inc symm4.inc wann.inc andp.inc response_p.inc \
> linres.inc shop.inc kdp.inc kdpc.inc conv.inc xinr.inc
> implhv.inc \
> mm_dim.inc mm_input.inc mm_ion_dens.inc comvel.inc vdwc.inc
> eam.inc \
> tpot.inc g_loc.inc cnst_dyn.inc hfx.inc dg.inc \
> bsym.inc bsympnt.inc tauf.inc cores.inc \
> dir.cld gromos.h equiv_file
>
> #----------------------------------------------------------------------------
> # OBJECTS USED IN CPMD LIBRARY
> #----------------------------------------------------------------------------
> OBJ_LIB = $(OBJ_CC) $(OBJECTS)
> INCFILES = aavan.inc adat.inc andp.inc andr.inc atimes.inc atom.inc \
> atwf.inc bc.inc benc.inc broy.inc bsym.inc bsympnt.inc \
> cell.inc clas.inc cnst_dyn.inc cnst.inc comvel.inc condu.inc \
> conv.inc coor.inc cores.inc cotr.inc cppt.inc cray_mpp.inc \
> cvan.inc ddip.inc dg.inc dipo.inc dpot.inc eam.inc \
> efld2.inc efld.inc elct2.inc elct.inc empf.inc ener.inc \
> envj.inc epot.inc extpot.inc fcas.inc fft.inc fileopen.inc \
> filn.inc fint.inc func.inc geq0.inc g_loc.inc gvec.inc \
> harm.inc head.inc hfx.inc implhv.inc ions.inc irat.inc \
> isos.inc kdpc.inc kdp.inc kpnt.inc kpts.inc ldos.inc \
> linres.inc lodp.inc lscal.inc memc.inc metr.inc mm_dim.inc \
> mm_extrap.inc mm_input.inc mm_ion_dens.inc mols.inc movi.inc
> nlcc.inc \
> nlps.inc nofo.inc norm.inc nort.inc nose.inc pimd.inc \
> poin.inc pola.inc prcp.inc prden.inc prop.inc pslo.inc \
> pstat.inc qspl.inc ragg.inc read.inc response_p.inc rmas.inc \
> ropt.inc rswf.inc scrp.inc sfac.inc sgpp.inc shop.inc \
> simul.inc soft.inc sphe.inc spin.inc store.inc str2.inc \
> strs.inc struc.inc swap.inc symm4.inc symm.inc tauf.inc \
> tbxc.inc temps.inc time.inc tpar.inc tpot.inc vdbp.inc \
> vdbt.inc vdwc.inc wann.inc xinr.inc
>
> EXE_OBJ=cpmd.o plotband.o
> #----------------------------------------------------------------------------
> # Compile cpmd.x
> #----------------------------------------------------------------------------
> cpmd.x : cpmd.o $(OBJECTS) $(OBJ_CC)
> rm -f timetag.f
> $(CPP) $(CPPFLAGS) $(SRC)/timetag.F ./timetag.f
> $(FC) $(FFLAGS) ./timetag.f
> rm -f $@
> if [ "$(BIN)" != "." ]; then ln -s $(BIN)/cpmd.x
> cpmd.x; fi
> $(LD) -o $(BIN)/cpmd.x cpmd.o timetag.o $(OBJECTS)
> $(OBJ_CC) $(LFLAGS)
>
> #----------------------------------------------------------------------------
> # Compile plotband.x
> #----------------------------------------------------------------------------
> plotband.x: plotband.o $(OBJECTS) $(OBJ_CC)
> rm -f timetag.f
> $(CPP) $(CPPFLAGS) $(SRC)/timetag.F ./timetag.f
> $(FC) $(FFLAGS) ./timetag.f
> rm -f $@
> [ "$(BIN)" != "." ] && ln -s $(BIN)/$@ $@ || echo ' '
> $(LD) -o $(BIN)/$@ plotband.o timetag.o $(OBJECTS)
> $(OBJ_CC) $(LFLAGS)
>
> #----------------------------------------------------------------------------
> # Generate library libcpmd.a
> #----------------------------------------------------------------------------
> lib : $(OBJ_LIB)
> rm -f ./timetag.f
> $(FC) $(FFLAGS) ./timetag.f
> $(AR) libcpmd.a timetag.o $(OBJ_LIB)
> $(RANLIB) libcpmd.a
>
> #----------------------------------------------------------------------------
> # Generate the manual
> #----------------------------------------------------------------------------
> doc : manual.ps
>
> docpdf: manual.pdf
>
> manual.ps: manual.dvi
> dvips -o $@ manual.dvi
>
> manual.dvi: $(SRC)/manual.tex
> rm -f manual.aux manual.ilg manual.log manual.idx
> manual.ind manual.out manual.toc
> latex $(SRC)/manual.tex
> latex $(SRC)/manual.tex
> makeindex manual
> latex $(SRC)/manual.tex
> latex $(SRC)/manual.tex
>
> manual.pdf: $(SRC)/manual.tex
> rm -f manual.aux manual.ilg manual.log manual.idx
> manual.ind manual.out manual.toc
> pdflatex $(SRC)/manual.tex
> pdflatex $(SRC)/manual.tex
> makeindex manual
> pdflatex $(SRC)/manual.tex
> pdflatex $(SRC)/manual.tex
>
> #----------------------------------------------------------------------------
> # Create a new makefile with new dependencies but retain the
> configuration.
> #----------------------------------------------------------------------------
> reconfig:
> ( cd $(SRC) ; ./mkconfig.sh $(CFGQMMM) -r -m
> -SRC=$(SRC) -DEST=$(CFGDEST) $(CFGMACH) ; cd $(CFGDEST) )
>
> #----------------------------------------------------------------------------
> # Remove all *.o and *.f
> #----------------------------------------------------------------------------
> clean :
> rm -f $(OBJECTS) $(EXE_OBJ) $(OBJ_CC) $(OBJECTS:.o=.f)
> cpmd.vcg CallTree.html
> rm -f *~ .*~ *.o *.f *.L $(CHKS) $(PRJS)
> $(CHKS:.chk=.html)
> rm -f *.aux *.brf *.dvi *.idx *.ilg *.ind *.log
> $(EXE_OBJ:.o=.html)
> rm -f *.out *.ps *.pdf *.toc $(EXE_OBJ:.o=.prj)
> $(EXE_OBJ:.o=.chk)
> rm -f ./MM_Interface/*.f ./MM_Interface/*.o
> ./MM_Interface/*.L
> rm -f ./Gromos/*.f ./Gromos/*.o ./Gromos/*.L
>
> #----------------------------------------------------------------------------
> # Explicit rules
> #----------------------------------------------------------------------------
> .SUFFIXES:
> .SUFFIXES: .o .f .F .chk
>
> $(OBJECTS:.o=.f) $(EXE_OBJ:.o=.f):
> rm -f $@
> $(CPP) $(CPPFLAGS) $(SRC)/$(@:.f=.F) $(DEST)/$@
>
> $(OBJECTS) $(EXE_OBJ):
> $(FC) $(FFLAGS) $(DEST)/$< -o $(DEST)/$@
>
> $(OBJ_CC) :
> $(CC) $(CPPFLAGS) $(CFLAGS) -c $(SRC)/$(@:.o=.c)
>
>
> #----------------------------------------------------------------------------
> # Rules for using ftnchek
> #----------------------------------------------------------------------------
> CHECKOPTS= -arguments=no-arrayness,no-type,number -pretty=no-parenthesis \
> -style=do-construct,distinct-do -portability=real-do,tabs
> -mkhtml \
> -crossref=calls,common
> PRJS=$(OBJECTS:.o=.prj) $(OBJECTS_GROMOS:.o=.prj)
> CHKS=$(OBJECTS:.o=.chk) $(OBJECTS_GROMOS:.o=.chk)
>
> check: cpmd.chk
>
> cpmd.chk: cpmd.f $(CHKS)
> ftnchek -calltree -include=$(SRC) $(CHECKOPTS) cpmd.f
> $(PRJS) > $@
>
> .f.chk:
> ftnchek -include=$(SRC) -project $(CHECKOPTS)
> -usage=no-ext-undefined,no-com-\* -library $< > $@
>
> #----------------------------------------------------------------------------
> # Dependencies
> #----------------------------------------------------------------------------
> aainit.f: $(SRC)/aainit.F
> aainit.o: aainit.f $(SRC)/system.h $(SRC)/aavan.inc $(SRC)/cnst.inc
>
> adapttol.f: $(SRC)/adapttol.F
> adapttol.o: adapttol.f $(SRC)/system.h $(SRC)/lscal.inc
>
> adjmu.f: $(SRC)/adjmu.F
> adjmu.o: adjmu.f $(SRC)/system.h $(SRC)/nlps.inc $(SRC)/fint.inc
>
> afbdr.f: $(SRC)/afbdr.F
> afbdr.o: afbdr.f $(SRC)/system.h
>
> ainitwf.f: $(SRC)/ainitwf.F
> ainitwf.o: ainitwf.f $(SRC)/system.h $(SRC)/ener.inc
> $(SRC)/geq0.inc \
> $(SRC)/ions.inc $(SRC)/pslo.inc $(SRC)/atwf.inc \
> $(SRC)/spin.inc $(SRC)/kpts.inc
>
> anderson.f: $(SRC)/anderson.F
> anderson.o: anderson.f $(SRC)/andr.inc
>
> anneal.f: $(SRC)/anneal.F
> anneal.o: anneal.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/bsym.inc
>
> atomc.f: $(SRC)/atomc.F
> atomc.o: atomc.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/atwf.inc \
> $(SRC)/qspl.inc $(SRC)/cnst.inc $(SRC)/gvec.inc \
> $(SRC)/metr.inc
>
> atoms.f: $(SRC)/atoms.F
> atoms.o: atoms.f $(SRC)/adat.inc
>
> atomwf.f: $(SRC)/atomwf.F
> atomwf.o: atomwf.f $(SRC)/system.h $(SRC)/ener.inc $(SRC)/geq0.inc \
> $(SRC)/ions.inc $(SRC)/pslo.inc $(SRC)/atwf.inc \
> $(SRC)/nlps.inc $(DEST)/irat.inc $(SRC)/spin.inc \
> $(SRC)/nlcc.inc $(SRC)/kpts.inc $(SRC)/sfac.inc \
> $(SRC)/sphe.inc $(SRC)/func.inc
>
> atrho.f: $(SRC)/atrho.F
> atrho.o: atrho.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/spin.inc \
> $(SRC)/elct.inc $(SRC)/cnst.inc $(SRC)/geq0.inc \
> $(SRC)/pslo.inc $(SRC)/ener.inc $(SRC)/cppt.inc \
> $(SRC)/atwf.inc $(SRC)/qspl.inc $(SRC)/fft.inc \
> $(SRC)/sfac.inc $(SRC)/gvec.inc
>
> augchg.f: $(SRC)/augchg.F
> augchg.o: augchg.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/pslo.inc \
> $(SRC)/nlps.inc $(SRC)/cppt.inc $(SRC)/cvan.inc
>
> azzero.f: $(SRC)/azzero.F
> azzero.o: azzero.f
>
> azzero_mod.f: $(SRC)/azzero_mod.F
> azzero_mod.o: azzero_mod.f
>
> bessm.f: $(SRC)/bessm.F
> bessm.o: bessm.f
>
> bogol.f: $(SRC)/bogol.F
> bogol.o: bogol.f $(SRC)/system.h $(SRC)/kpts.inc $(SRC)/kpnt.inc \
> $(SRC)/nlps.inc $(SRC)/fint.inc $(SRC)/tauf.inc \
> $(SRC)/spin.inc
>
> broyden.f: $(SRC)/broyden.F
> broyden.o: broyden.f $(SRC)/geq0.inc $(SRC)/broy.inc
>
> bs_forces_diag.f:$(SRC)/bs_forces_diag.F
> bs_forces_diag.o:bs_forces_diag.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/elct.inc $(SRC)/ener.inc $(SRC)/norm.inc \
> $(SRC)/ropt.inc $(SRC)/andr.inc $(SRC)/andp.inc \
> $(SRC)/soft.inc $(SRC)/cotr.inc $(SRC)/tpar.inc \
> $(SRC)/store.inc $(SRC)/bsym.inc $(SRC)/bsympnt.inc
>
> bswfo.f: $(SRC)/bswfo.F
> bswfo.o: bswfo.f $(SRC)/system.h $(SRC)/bsym.inc
> $(SRC)/bsympnt.inc \
> $(SRC)/coor.inc $(SRC)/elct.inc $(SRC)/ener.inc \
> $(SRC)/norm.inc $(SRC)/ropt.inc $(SRC)/soft.inc \
> $(SRC)/store.inc
>
> calc_alm.f: $(SRC)/calc_alm.F
> calc_alm.o: calc_alm.f $(SRC)/system.h $(SRC)/geq0.inc \
> $(SRC)/ions.inc $(SRC)/elct.inc $(SRC)/cppt.inc \
> $(SRC)/sfac.inc $(SRC)/nlps.inc $(SRC)/fint.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc
>
> calc_pij.f: $(SRC)/calc_pij.F
> calc_pij.o: calc_pij.f $(SRC)/system.h $(SRC)/cppt.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(SRC)/cnst.inc \
> $(SRC)/geq0.inc
>
> canon.f: $(SRC)/canon.F
> canon.o: canon.f $(SRC)/system.h $(SRC)/spin.inc
>
> chain_dr.f: $(SRC)/chain_dr.F
> chain_dr.o: chain_dr.f $(SRC)/system.h $(SRC)/ions.inc \
> $(SRC)/cnst_dyn.inc $(SRC)/metr.inc $(SRC)/mm_input.inc \
> $(SRC)/mm_dim.inc $(DEST)/irat.inc
>
> chksym.f: $(SRC)/chksym.F
> chksym.o: chksym.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/symm.inc \
> $(SRC)/metr.inc $(SRC)/rmas.inc $(DEST)/irat.inc
>
> clas_force.f: $(SRC)/clas_force.F
> clas_force.o: clas_force.f $(SRC)/system.h $(SRC)/clas.inc \
> $(SRC)/strs.inc $(DEST)/irat.inc
>
> clinbcg.f: $(SRC)/clinbcg.F
> clinbcg.o: clinbcg.f $(SRC)/system.h $(SRC)/kpts.inc
> $(SRC)/spin.inc \
> $(SRC)/cppt.inc $(SRC)/atimes.inc $(SRC)/pslo.inc \
> $(SRC)/pola.inc
>
> cl_init.f: $(SRC)/cl_init.F
> cl_init.o: cl_init.f $(SRC)/system.h $(SRC)/clas.inc
> $(SRC)/rmas.inc \
> $(DEST)/irat.inc
>
> cmaos.f: $(SRC)/cmaos.F
> cmaos.o: cmaos.f $(SRC)/system.h $(SRC)/spin.inc $(SRC)/ions.inc \
> $(SRC)/atwf.inc $(SRC)/prop.inc
>
> cnstfc.f: $(SRC)/cnstfc.F
> cnstfc.o: cnstfc.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/cotr.inc \
> $(SRC)/rmas.inc $(SRC)/tpar.inc $(SRC)/adat.inc \
> $(SRC)/ener.inc $(SRC)/isos.inc
>
> cnstpr.f: $(SRC)/cnstpr.F
> cnstpr.o: cnstpr.f $(SRC)/system.h $(SRC)/cotr.inc $(SRC)/mm_dim.inc
>
> cofor.f: $(SRC)/cofor.F
> cofor.o: cofor.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/cnst.inc \
> $(SRC)/cppt.inc $(SRC)/geq0.inc $(SRC)/spin.inc \
> $(SRC)/sfac.inc $(SRC)/nlcc.inc
>
> compress.f: $(SRC)/compress.F
> compress.o: compress.f
>
> comvel.f: $(SRC)/comvel.F
> comvel.o: comvel.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/rmas.inc \
> $(SRC)/nose.inc $(SRC)/ions.inc
>
> conduct.f: $(SRC)/conduct.F
> conduct.o: conduct.f $(SRC)/system.h $(SRC)/cnst.inc
> $(SRC)/cppt.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(DEST)/irat.inc \
> $(SRC)/condu.inc $(SRC)/fileopen.inc
>
> coninp.f: $(SRC)/coninp.F
> coninp.o: coninp.f $(SRC)/system.h $(SRC)/coor.inc $(SRC)/dpot.inc \
> $(SRC)/atom.inc $(SRC)/elct.inc $(SRC)/ions.inc \
> $(SRC)/nlps.inc $(SRC)/rmas.inc $(SRC)/cotr.inc \
> $(DEST)/irat.inc $(SRC)/mm_dim.inc $(SRC)/mm_input.inc \
> $(SRC)/cnst.inc
>
> constr.f: $(SRC)/constr.F
> constr.o: constr.f
>
> control_bcast.f:$(SRC)/control_bcast.F
> control_bcast.o:control_bcast.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/ions.inc $(SRC)/struc.inc $(SRC)/prden.inc \
> $(DEST)/irat.inc $(SRC)/benc.inc $(SRC)/nort.inc \
> $(SRC)/isos.inc $(SRC)/nose.inc $(SRC)/qspl.inc \
> $(SRC)/andr.inc $(SRC)/broy.inc $(SRC)/nlps.inc \
> $(SRC)/fint.inc $(SRC)/atwf.inc $(SRC)/store.inc \
> $(SRC)/wann.inc $(SRC)/cotr.inc $(SRC)/prop.inc \
> $(SRC)/mm_input.inc $(SRC)/xinr.inc $(SRC)/g_loc.inc \
> $(SRC)/comvel.inc $(SRC)/fileopen.inc
>
> control_def.f: $(SRC)/control_def.F
> control_def.o: control_def.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/ions.inc $(SRC)/struc.inc $(SRC)/prden.inc \
> $(DEST)/irat.inc $(SRC)/benc.inc $(SRC)/nort.inc \
> $(SRC)/isos.inc $(SRC)/nose.inc $(SRC)/qspl.inc \
> $(SRC)/andr.inc $(SRC)/broy.inc $(SRC)/nlps.inc \
> $(SRC)/fint.inc $(SRC)/atwf.inc $(SRC)/store.inc \
> $(SRC)/wann.inc $(SRC)/cotr.inc $(SRC)/kpts.inc \
> $(SRC)/prop.inc $(SRC)/conv.inc $(SRC)/xinr.inc \
> $(SRC)/g_loc.inc $(SRC)/comvel.inc $(SRC)/time.inc \
> $(SRC)/memc.inc $(SRC)/cnst_dyn.inc $(SRC)/read.inc \
> $(SRC)/fileopen.inc
>
> control.f: $(SRC)/control.F
> control.o: control.f $(SRC)/system.h $(SRC)/spin.inc
> $(SRC)/ions.inc \
> $(SRC)/struc.inc $(SRC)/prden.inc $(DEST)/irat.inc \
> $(SRC)/benc.inc $(SRC)/nort.inc $(SRC)/isos.inc \
> $(SRC)/nose.inc $(SRC)/qspl.inc $(SRC)/andr.inc \
> $(SRC)/broy.inc $(SRC)/nlps.inc $(SRC)/fint.inc \
> $(SRC)/atwf.inc $(SRC)/store.inc $(SRC)/wann.inc \
> $(SRC)/envj.inc $(SRC)/cotr.inc $(SRC)/kpts.inc \
> $(SRC)/prop.inc $(SRC)/shop.inc $(SRC)/mm_input.inc \
> $(SRC)/xinr.inc $(SRC)/g_loc.inc $(SRC)/lscal.inc \
> $(SRC)/comvel.inc $(SRC)/time.inc $(SRC)/memc.inc \
> $(SRC)/fileopen.inc
>
> control_pri.f: $(SRC)/control_pri.F
> control_pri.o: control_pri.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/ions.inc $(SRC)/struc.inc $(SRC)/prden.inc \
> $(DEST)/irat.inc $(SRC)/benc.inc $(SRC)/nort.inc \
> $(SRC)/isos.inc $(SRC)/nose.inc $(SRC)/qspl.inc \
> $(SRC)/andr.inc $(SRC)/broy.inc $(SRC)/nlps.inc \
> $(SRC)/fint.inc $(SRC)/atwf.inc $(SRC)/store.inc \
> $(SRC)/wann.inc $(SRC)/envj.inc $(SRC)/cotr.inc \
> $(SRC)/kpts.inc $(SRC)/shop.inc $(SRC)/xinr.inc \
> $(SRC)/lscal.inc $(SRC)/comvel.inc $(SRC)/memc.inc \
> $(SRC)/time.inc $(SRC)/fileopen.inc
>
> control_test.f: $(SRC)/control_test.F
> control_test.o: control_test.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/ions.inc $(SRC)/struc.inc $(SRC)/prden.inc \
> $(DEST)/irat.inc $(SRC)/benc.inc $(SRC)/nort.inc \
> $(SRC)/isos.inc $(SRC)/nose.inc $(SRC)/qspl.inc \
> $(SRC)/andr.inc $(SRC)/nlps.inc $(SRC)/fint.inc \
> $(SRC)/atwf.inc $(SRC)/store.inc $(SRC)/wann.inc \
> $(SRC)/kpts.inc $(SRC)/lscal.inc $(SRC)/broy.inc
>
> copot.f: $(SRC)/copot.F
> copot.o: copot.f $(SRC)/system.h $(SRC)/spin.inc $(SRC)/ions.inc \
> $(SRC)/elct.inc $(SRC)/cppt.inc $(SRC)/pslo.inc \
> $(SRC)/fft.inc $(SRC)/geq0.inc $(SRC)/cvan.inc \
> $(SRC)/nlcc.inc $(SRC)/kpts.inc $(SRC)/sfac.inc \
> $(SRC)/strs.inc
>
> corec.f: $(SRC)/corec.F
> corec.o: corec.f $(SRC)/system.h $(SRC)/spin.inc $(SRC)/ions.inc \
> $(SRC)/nlcc.inc $(SRC)/sfac.inc $(SRC)/cppt.inc \
> $(SRC)/geq0.inc $(SRC)/fft.inc
>
> core_spect.f: $(SRC)/core_spect.F
> core_spect.o: core_spect.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/adat.inc $(SRC)/cppt.inc $(SRC)/ions.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(DEST)/irat.inc \
> $(SRC)/atwf.inc $(SRC)/gvec.inc $(SRC)/sphe.inc \
> $(SRC)/qspl.inc $(SRC)/sfac.inc $(SRC)/cores.inc \
> $(SRC)/fileopen.inc
>
> cpmd.f: $(SRC)/cpmd.F
> cpmd.o: cpmd.f $(SRC)/system.h $(SRC)/soft.inc $(SRC)/prop.inc
>
> crotwf.f: $(SRC)/crotwf.F
> crotwf.o: crotwf.f $(SRC)/system.h $(SRC)/spin.inc
>
> cry.f: $(SRC)/cry.F
> cry.o: cry.f $(SRC)/bc.inc
>
> csize.f: $(SRC)/csize.F
> csize.o: csize.f $(SRC)/system.h $(SRC)/elct.inc $(SRC)/kpts.inc \
> $(SRC)/spin.inc
>
> csmat.f: $(SRC)/csmat.F
> csmat.o: csmat.f $(SRC)/system.h $(SRC)/spin.inc $(SRC)/pslo.inc \
> $(SRC)/ions.inc $(SRC)/cvan.inc $(SRC)/nort.inc \
> $(SRC)/nlps.inc
>
> davidson.f: $(SRC)/davidson.F
> davidson.o: davidson.f $(SRC)/system.h $(SRC)/elct.inc \
> $(SRC)/pslo.inc $(SRC)/soft.inc $(SRC)/cppt.inc \
> $(SRC)/ions.inc $(SRC)/nlps.inc $(SRC)/cvan.inc \
> $(DEST)/irat.inc
>
> dcopy.f: $(SRC)/dcopy.F
> dcopy.o: dcopy.f
>
> dd_functionals.f:$(SRC)/dd_functionals.F
> dd_functionals.o:dd_functionals.f
>
> ddipo.f: $(SRC)/ddipo.F
> ddipo.o: ddipo.f $(SRC)/system.h $(SRC)/geq0.inc $(SRC)/ions.inc \
> $(SRC)/cnst.inc $(SRC)/ddip.inc $(SRC)/gvec.inc \
> $(DEST)/irat.inc $(SRC)/rmas.inc $(SRC)/wann.inc \
> $(SRC)/spin.inc $(SRC)/dipo.inc $(SRC)/elct.inc \
> $(SRC)/prcp.inc $(SRC)/kpts.inc $(SRC)/sphe.inc \
> $(SRC)/metr.inc
>
> dd_xc_ana.f: $(SRC)/dd_xc_ana.F
> dd_xc_ana.o: dd_xc_ana.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/fft.inc $(SRC)/cppt.inc
>
> dd_xc.f: $(SRC)/dd_xc.F
> dd_xc.o: dd_xc.f $(SRC)/system.h $(SRC)/spin.inc $(SRC)/fft.inc \
> $(SRC)/linres.inc $(SRC)/nlcc.inc $(SRC)/cppt.inc
>
> debfor.f: $(SRC)/debfor.F
> debfor.o: debfor.f $(SRC)/system.h $(SRC)/spin.inc $(SRC)/ener.inc \
> $(SRC)/elct.inc $(SRC)/tpar.inc $(SRC)/pslo.inc \
> $(SRC)/ions.inc $(SRC)/soft.inc $(SRC)/norm.inc \
> $(SRC)/ropt.inc $(SRC)/cppt.inc $(SRC)/coor.inc \
> $(SRC)/sfac.inc $(SRC)/cotr.inc $(SRC)/adat.inc \
> $(SRC)/rmas.inc $(SRC)/nlcc.inc $(SRC)/symm.inc \
> $(DEST)/irat.inc $(SRC)/andr.inc $(SRC)/andp.inc \
> $(SRC)/nlps.inc $(SRC)/fint.inc $(SRC)/poin.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(SRC)/store.inc \
> $(SRC)/linres.inc
>
> density_functionals.f:$(SRC)/density_functionals.F
> density_functionals.o:density_functionals.f
>
> densrd.f: $(SRC)/densrd.F
> densrd.o: densrd.f $(SRC)/system.h $(SRC)/cell.inc $(SRC)/gvec.inc \
> $(SRC)/ions.inc $(DEST)/irat.inc $(SRC)/fileopen.inc
>
> densto.f: $(SRC)/densto.F
> densto.o: densto.f $(SRC)/system.h $(SRC)/cell.inc $(SRC)/gvec.inc \
> $(SRC)/ions.inc $(DEST)/irat.inc $(SRC)/fileopen.inc \
> $(SRC)/mm_dim.inc
>
> deort.f: $(SRC)/deort.F
> deort.o: deort.f
>
> detdof.f: $(SRC)/detdof.F
> detdof.o: detdof.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/cotr.inc \
> $(SRC)/rmas.inc $(SRC)/tpar.inc $(SRC)/adat.inc \
> $(SRC)/ener.inc $(SRC)/nose.inc $(SRC)/isos.inc \
> $(SRC)/mm_input.inc $(SRC)/mm_dim.inc $(SRC)/pimd.inc
>
> detsp.f: $(SRC)/detsp.F
> detsp.o: detsp.f $(SRC)/system.h $(SRC)/coor.inc $(SRC)/dpot.inc \
> $(SRC)/ions.inc $(SRC)/nlps.inc $(SRC)/pslo.inc \
> $(SRC)/rmas.inc $(SRC)/ragg.inc $(SRC)/atom.inc \
> $(SRC)/vdbt.inc $(SRC)/vdbp.inc $(SRC)/nlcc.inc \
> $(DEST)/irat.inc $(SRC)/clas.inc $(SRC)/sgpp.inc \
> $(SRC)/mm_input.inc $(SRC)/geq0.inc
>
> dftin.f: $(SRC)/dftin.F
> dftin.o: dftin.f $(SRC)/system.h $(SRC)/tbxc.inc $(DEST)/irat.inc \
> $(SRC)/func.inc $(SRC)/ener.inc $(SRC)/linres.inc \
> $(SRC)/hfx.inc $(SRC)/wann.inc
>
> dginit.f: $(SRC)/dginit.F
> dginit.o: dginit.f $(SRC)/dg.inc
>
> difrho.f: $(SRC)/difrho.F
> difrho.o: difrho.f $(SRC)/system.h $(SRC)/spin.inc $(SRC)/elct.inc \
> $(SRC)/cnst.inc $(SRC)/geq0.inc $(SRC)/pslo.inc \
> $(SRC)/ener.inc $(SRC)/cppt.inc $(SRC)/fft.inc \
> $(SRC)/rswf.inc $(SRC)/ions.inc
>
> dipo.f: $(SRC)/dipo.F
> dipo.o: dipo.f $(SRC)/system.h $(SRC)/dipo.inc $(SRC)/geq0.inc \
> $(SRC)/ions.inc $(SRC)/cppt.inc $(SRC)/cnst.inc \
> $(SRC)/fft.inc
>
> disortho.f: $(SRC)/disortho.F
> disortho.o: disortho.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/ions.inc
>
> dispp.f: $(SRC)/dispp.F
> dispp.o: dispp.f $(SRC)/system.h $(SRC)/ions.inc
>
> d_mat_p.f: $(SRC)/d_mat_p.F
> d_mat_p.o: d_mat_p.f $(SRC)/system.h $(SRC)/ions.inc
> $(SRC)/cnst.inc \
> $(SRC)/cppt.inc $(SRC)/geq0.inc $(SRC)/sfac.inc \
> $(SRC)/nlps.inc $(SRC)/pslo.inc $(SRC)/cvan.inc \
> $(SRC)/spin.inc $(SRC)/sgpp.inc $(SRC)/ragg.inc \
> $(SRC)/isos.inc $(SRC)/metr.inc
>
> dnlpdk_p.f: $(SRC)/dnlpdk_p.F
> dnlpdk_p.o: dnlpdk_p.f $(SRC)/system.h $(SRC)/ions.inc \
> $(SRC)/pslo.inc $(SRC)/nlcc.inc $(SRC)/dpot.inc \
> $(SRC)/str2.inc $(SRC)/sgpp.inc $(SRC)/nlps.inc \
> $(SRC)/fint.inc $(SRC)/response_p.inc $(SRC)/cppt.inc \
> $(SRC)/qspl.inc
>
> do_perturbation_p.f:$(SRC)/do_perturbation_p.F
> do_perturbation_p.o:do_perturbation_p.f $(SRC)/system.h $(SRC)/ions.inc \
> $(DEST)/irat.inc $(SRC)/symm.inc $(SRC)/rmas.inc \
> $(SRC)/cotr.inc $(SRC)/adat.inc $(SRC)/coor.inc \
> $(SRC)/soft.inc $(SRC)/store.inc $(SRC)/elct.inc \
> $(SRC)/spin.inc $(SRC)/sfac.inc $(SRC)/str2.inc \
> $(SRC)/nlps.inc $(SRC)/pslo.inc $(SRC)/atwf.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(SRC)/fft.inc \
> $(SRC)/ropt.inc $(SRC)/isos.inc $(SRC)/mm_input.inc \
> $(SRC)/response_p.inc
>
> dotp.f: $(SRC)/dotp.F
> dotp.o: dotp.f $(SRC)/geq0.inc
>
> dqgalloc.f: $(SRC)/dqgalloc.F
> dqgalloc.o: dqgalloc.f $(SRC)/system.h $(SRC)/str2.inc \
> $(SRC)/pslo.inc $(SRC)/fft.inc $(SRC)/spin.inc
>
> dqvan2.f: $(SRC)/dqvan2.F
> dqvan2.o: dqvan2.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/nlps.inc \
> $(SRC)/cvan.inc $(SRC)/geq0.inc $(SRC)/qspl.inc \
> $(SRC)/cppt.inc $(SRC)/aavan.inc
>
> drhov.f: $(SRC)/drhov.F
> drhov.o: drhov.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/pslo.inc \
> $(SRC)/nlps.inc $(SRC)/elct.inc $(SRC)/cppt.inc \
> $(SRC)/sfac.inc $(SRC)/fft.inc $(SRC)/qspl.inc \
> $(SRC)/geq0.inc $(SRC)/strs.inc $(SRC)/str2.inc
>
> dum2.f: $(SRC)/dum2.F
> dum2.o: dum2.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/rmas.inc \
> $(SRC)/cotr.inc
>
> dylmr.f: $(SRC)/dylmr.F
> dylmr.o: dylmr.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/ions.inc \
> $(SRC)/strs.inc $(SRC)/str2.inc $(SRC)/geq0.inc
>
> dynit.f: $(SRC)/dynit.F
> dynit.o: dynit.f $(SRC)/system.h $(SRC)/tpar.inc $(SRC)/ions.inc \
> $(SRC)/rmas.inc $(SRC)/cnst.inc $(SRC)/clas.inc
>
> eam_pot.f: $(SRC)/eam_pot.F
> eam_pot.o: eam_pot.f $(SRC)/system.h $(SRC)/eam.inc $(SRC)/ions.inc \
> $(SRC)/adat.inc $(SRC)/cnst.inc $(DEST)/irat.inc \
> $(SRC)/dpot.inc $(SRC)/isos.inc $(SRC)/metr.inc
>
> eextern.f: $(SRC)/eextern.F
> eextern.o: eextern.f $(SRC)/system.h $(SRC)/ions.inc
> $(SRC)/cnst.inc \
> $(SRC)/cppt.inc $(SRC)/geq0.inc $(SRC)/sfac.inc \
> $(SRC)/efld.inc $(SRC)/ragg.inc $(SRC)/epot.inc \
> $(SRC)/mm_ion_dens.inc $(SRC)/mm_input.inc \
> $(SRC)/qspl.inc $(SRC)/metr.inc
>
> efield.f: $(SRC)/efield.F
> efield.o: efield.f $(SRC)/system.h $(DEST)/irat.inc
> $(SRC)/elct.inc \
> $(SRC)/ddip.inc $(SRC)/geq0.inc $(SRC)/ener.inc \
> $(SRC)/ions.inc $(SRC)/gvec.inc
>
> egointer.f: $(SRC)/egointer.F
> egointer.o: egointer.f $(SRC)/system.h $(SRC)/ener.inc \
> $(SRC)/elct.inc $(SRC)/tpar.inc $(SRC)/pslo.inc \
> $(SRC)/norm.inc $(SRC)/ropt.inc $(SRC)/cppt.inc \
> $(SRC)/sfac.inc $(SRC)/coor.inc $(SRC)/nlcc.inc \
> $(SRC)/ions.inc $(SRC)/epot.inc $(SRC)/efld.inc \
> $(SRC)/efld2.inc $(SRC)/spin.inc $(SRC)/store.inc \
> $(DEST)/irat.inc $(SRC)/fileopen.inc $(SRC)/prop.inc \
> $(SRC)/dipo.inc $(SRC)/lodp.inc $(SRC)/atwf.inc \
> $(SRC)/geq0.inc $(SRC)/isos.inc $(SRC)/fft.inc \
> $(SRC)/soft.inc $(SRC)/kpts.inc
>
> ehpsi.f: $(SRC)/ehpsi.F
> ehpsi.o: ehpsi.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/pslo.inc \
> $(SRC)/elct.inc $(SRC)/norm.inc $(SRC)/ions.inc \
> $(SRC)/cvan.inc $(SRC)/geq0.inc $(SRC)/cppt.inc \
> $(SRC)/nlps.inc $(SRC)/fint.inc $(SRC)/coor.inc \
> $(SRC)/sfac.inc $(SRC)/fft.inc $(SRC)/kpts.inc \
> $(SRC)/spin.inc $(SRC)/kpnt.inc $(SRC)/sgpp.inc
>
> eicalc.f: $(SRC)/eicalc.F
> eicalc.o: eicalc.f $(SRC)/system.h $(SRC)/sfac.inc $(SRC)/ions.inc \
> $(SRC)/cppt.inc
>
> eigensystem_p.f:$(SRC)/eigensystem_p.F
> eigensystem_p.o:eigensystem_p.f $(SRC)/system.h $(SRC)/fft.inc \
> $(SRC)/coor.inc $(SRC)/adat.inc $(SRC)/ions.inc \
> $(SRC)/nlps.inc $(SRC)/cppt.inc $(SRC)/geq0.inc \
> $(SRC)/response_p.inc
>
> eind_ii.f: $(SRC)/eind_ii.F
> eind_ii.o: eind_ii.f $(SRC)/system.h $(SRC)/ions.inc
> $(SRC)/cnst.inc \
> $(SRC)/ragg.inc $(SRC)/isos.inc $(SRC)/metr.inc
>
> eind_loc.f: $(SRC)/eind_loc.F
> eind_loc.o: eind_loc.f $(SRC)/system.h $(SRC)/ions.inc \
> $(SRC)/cnst.inc $(SRC)/cppt.inc $(SRC)/geq0.inc \
> $(SRC)/sfac.inc
>
> eind_nl.f: $(SRC)/eind_nl.F
> eind_nl.o: eind_nl.f $(SRC)/system.h $(SRC)/nlps.inc
> $(SRC)/elct.inc \
> $(SRC)/ions.inc $(SRC)/pslo.inc $(SRC)/cvan.inc \
> $(SRC)/cppt.inc $(SRC)/spin.inc $(SRC)/sgpp.inc \
> $(SRC)/sfac.inc
>
> ekinpp.f: $(SRC)/ekinpp.F
> ekinpp.o: ekinpp.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/rmas.inc \
> $(SRC)/pimd.inc
>
> elec_disp.f: $(SRC)/elec_disp.F
> elec_disp.o: elec_disp.f $(SRC)/system.h $(SRC)/geq0.inc \
> $(SRC)/ions.inc $(SRC)/cnst.inc $(SRC)/ddip.inc \
> $(SRC)/gvec.inc $(DEST)/irat.inc $(SRC)/rmas.inc
>
> elf.f: $(SRC)/elf.F
> elf.o: elf.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/cppt.inc \
> $(SRC)/ions.inc $(SRC)/elct.inc $(SRC)/pslo.inc \
> $(SRC)/poin.inc $(SRC)/qspl.inc $(SRC)/fft.inc \
> $(SRC)/atwf.inc $(SRC)/ener.inc $(SRC)/prden.inc \
> $(SRC)/kpts.inc $(SRC)/pimd.inc $(SRC)/bsym.inc
>
> elstpo.f: $(SRC)/elstpo.F
> elstpo.o: elstpo.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/cppt.inc \
> $(SRC)/geq0.inc $(SRC)/isos.inc $(SRC)/fft.inc
>
> empfor.f: $(SRC)/empfor.F
> empfor.o: empfor.f $(SRC)/system.h $(SRC)/empf.inc $(SRC)/cnst.inc \
> $(SRC)/adat.inc $(SRC)/ions.inc $(DEST)/irat.inc \
> $(SRC)/cotr.inc
>
> enbandpri.f: $(SRC)/enbandpri.F
> enbandpri.o: enbandpri.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(SRC)/elct.inc \
> $(SRC)/fileopen.inc
>
> enosmove.f: $(SRC)/enosmove.F
> enosmove.o: enosmove.f $(SRC)/system.h $(SRC)/nose.inc
>
> envir.f: $(SRC)/envir.F
> envir.o: envir.f $(SRC)/envj.inc
>
> epr_current_p.f:$(SRC)/epr_current_p.F
> epr_current_p.o:epr_current_p.f $(SRC)/system.h $(SRC)/cppt.inc \
> $(SRC)/coor.inc $(SRC)/cnst.inc $(SRC)/spin.inc \
> $(SRC)/fft.inc $(SRC)/ions.inc $(SRC)/geq0.inc \
> $(SRC)/response_p.inc $(SRC)/prop.inc $(SRC)/elct.inc \
> $(SRC)/wann.inc
>
> epr_dv0.f: $(SRC)/epr_dv0.F
> epr_dv0.o: epr_dv0.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/fft.inc \
> $(SRC)/cppt.inc
>
> epr_effpot.f: $(SRC)/epr_effpot.F
> epr_effpot.o: epr_effpot.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/fft.inc $(SRC)/cppt.inc $(SRC)/geq0.inc \
> $(SRC)/qspl.inc $(SRC)/ions.inc $(SRC)/adat.inc \
> $(SRC)/atom.inc $(SRC)/dpot.inc $(SRC)/ragg.inc \
> $(SRC)/gvec.inc $(SRC)/response_p.inc $(SRC)/sfac.inc
>
> epr_efg.f: $(SRC)/epr_efg.F
> epr_efg.o: epr_efg.f $(SRC)/system.h $(SRC)/prop.inc
> $(SRC)/spin.inc \
> $(SRC)/ions.inc $(SRC)/cnst.inc $(SRC)/geq0.inc \
> $(SRC)/cppt.inc $(SRC)/coor.inc $(SRC)/gvec.inc \
> $(SRC)/fft.inc $(SRC)/sfac.inc $(SRC)/ragg.inc
>
> epr_hyp.f: $(SRC)/epr_hyp.F
> epr_hyp.o: epr_hyp.f $(SRC)/system.h $(SRC)/response_p.inc \
> $(SRC)/prop.inc $(SRC)/cnst.inc $(SRC)/cppt.inc \
> $(SRC)/gvec.inc $(SRC)/coor.inc $(SRC)/ions.inc \
> $(SRC)/fft.inc $(SRC)/spin.inc $(SRC)/elct.inc \
> $(SRC)/atwf.inc $(SRC)/adat.inc $(SRC)/sfac.inc \
> $(SRC)/pslo.inc $(SRC)/geq0.inc
>
> epr_p.f: $(SRC)/epr_p.F
> epr_p.o: epr_p.f $(SRC)/system.h $(SRC)/response_p.inc \
> $(SRC)/prop.inc $(SRC)/cnst.inc $(SRC)/cppt.inc \
> $(SRC)/gvec.inc $(SRC)/ddip.inc $(SRC)/isos.inc \
> $(SRC)/wann.inc $(SRC)/coor.inc $(SRC)/ions.inc \
> $(SRC)/store.inc $(SRC)/soft.inc $(SRC)/ropt.inc \
> $(SRC)/sfac.inc $(SRC)/fft.inc $(SRC)/spin.inc \
> $(SRC)/elct.inc
>
> epr_util_p.f: $(SRC)/epr_util_p.F
> epr_util_p.o: epr_util_p.f $(SRC)/system.h $(SRC)/soft.inc \
> $(SRC)/response_p.inc
>
> espchg.f: $(SRC)/espchg.F
> espchg.o: espchg.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/adat.inc \
> $(SRC)/cnst.inc $(SRC)/sfac.inc $(SRC)/cppt.inc \
> $(SRC)/fft.inc $(SRC)/geq0.inc $(SRC)/isos.inc \
> $(SRC)/elct.inc
>
> esslfft.f: $(SRC)/esslfft.F
> esslfft.o: esslfft.f $(SRC)/system.h $(SRC)/fft.inc
>
> evirial.f: $(SRC)/evirial.F
> evirial.o: evirial.f $(SRC)/system.h $(SRC)/ions.inc
> $(SRC)/nose.inc \
> $(SRC)/pimd.inc
>
> exdipo.f: $(SRC)/exdipo.F
> exdipo.o: exdipo.f $(SRC)/system.h $(SRC)/dipo.inc $(SRC)/lodp.inc \
> $(SRC)/ions.inc $(SRC)/cppt.inc $(SRC)/cnst.inc \
> $(SRC)/prop.inc
>
> exterp.f: $(SRC)/exterp.F
> exterp.o: exterp.f $(SRC)/system.h $(SRC)/extpot.inc \
> $(SRC)/efld.inc $(SRC)/isos.inc
>
> extrap.f: $(SRC)/extrap.F
> extrap.o: extrap.f
>
> ffsum.f: $(SRC)/ffsum.F
> ffsum.o: ffsum.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/ions.inc \
> $(SRC)/dpot.inc $(SRC)/ragg.inc $(SRC)/cppt.inc \
> $(SRC)/str2.inc $(SRC)/sfac.inc $(SRC)/qspl.inc \
> $(SRC)/geq0.inc
>
> fft3d.f: $(SRC)/fft3d.F
> fft3d.o: fft3d.f $(SRC)/system.h $(SRC)/fft.inc
>
> fftchk.f: $(SRC)/fftchk.F
> fftchk.o: fftchk.f
>
> fftmain.f: $(SRC)/fftmain.F
> fftmain.o: fftmain.f
>
> fftnew.f: $(SRC)/fftnew.F
> fftnew.o: fftnew.f $(SRC)/system.h $(SRC)/fft.inc $(SRC)/cppt.inc \
> $(SRC)/cnst.inc $(SRC)/cell.inc $(SRC)/kpts.inc \
> $(DEST)/irat.inc
>
> fftprp.f: $(SRC)/fftprp.F
> fftprp.o: fftprp.f $(SRC)/system.h $(SRC)/cppt.inc
> $(DEST)/irat.inc \
> $(SRC)/fft.inc $(SRC)/rswf.inc $(SRC)/elct.inc \
> $(SRC)/isos.inc $(SRC)/pimd.inc $(SRC)/kpnt.inc \
> $(SRC)/kpts.inc
>
> fftutil.f: $(SRC)/fftutil.F
> fftutil.o: fftutil.f $(SRC)/system.h $(SRC)/cppt.inc $(SRC)/fft.inc
>
> fftwfft.f: $(SRC)/fftwfft.F
> fftwfft.o: fftwfft.f $(SRC)/system.h $(SRC)/fft.inc
>
> fharm.f: $(SRC)/fharm.F
> fharm.o: fharm.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/isos.inc \
> $(SRC)/pimd.inc
>
> fileopen.f: $(SRC)/fileopen.F
> fileopen.o: fileopen.f $(SRC)/fileopen.inc
>
> finalp.f: $(SRC)/finalp.F
> finalp.o: finalp.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/adat.inc \
> $(SRC)/cnst.inc $(SRC)/dipo.inc $(SRC)/norm.inc \
> $(SRC)/elct.inc $(SRC)/ener.inc $(SRC)/kpts.inc \
> $(SRC)/kpnt.inc $(SRC)/strs.inc $(SRC)/prcp.inc \
> $(SRC)/metr.inc $(SRC)/rmas.inc $(SRC)/ropt.inc \
> $(SRC)/store.inc
>
> fitpack.f: $(SRC)/fitpack.F
> fitpack.o: fitpack.f
>
> fixcom.f: $(SRC)/fixcom.F
> fixcom.o: fixcom.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/rmas.inc \
> $(SRC)/cotr.inc
>
> fnlalloc.f: $(SRC)/fnlalloc.F
> fnlalloc.o: fnlalloc.f $(SRC)/system.h $(SRC)/sfac.inc \
> $(SRC)/nlps.inc $(SRC)/ions.inc $(SRC)/shop.inc
>
> fnonloc.f: $(SRC)/fnonloc.F
> fnonloc.o: fnonloc.f $(SRC)/system.h $(SRC)/spin.inc
> $(SRC)/nlps.inc \
> $(SRC)/ions.inc $(SRC)/pslo.inc $(SRC)/cvan.inc \
> $(SRC)/sfac.inc $(SRC)/cppt.inc $(SRC)/sgpp.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(SRC)/cnst.inc \
> $(SRC)/geq0.inc $(SRC)/ener.inc
>
> fnonloc_p.f: $(SRC)/fnonloc_p.F
> fnonloc_p.o: fnonloc_p.f $(SRC)/system.h $(SRC)/nlps.inc \
> $(SRC)/ions.inc $(SRC)/pslo.inc $(SRC)/sfac.inc \
> $(SRC)/cppt.inc $(SRC)/sgpp.inc $(SRC)/kpts.inc \
> $(SRC)/kpnt.inc $(SRC)/geq0.inc $(SRC)/response_p.inc
>
> forcedr.f: $(SRC)/forcedr.F
> forcedr.o: forcedr.f $(SRC)/system.h $(SRC)/ions.inc
> $(SRC)/pslo.inc \
> $(SRC)/cotr.inc $(SRC)/tpar.inc $(SRC)/pimd.inc \
> $(SRC)/mm_dim.inc $(SRC)/kpts.inc
>
> forcep.f: $(SRC)/forcep.F
> forcep.o: forcep.f $(SRC)/system.h $(SRC)/spin.inc $(SRC)/fft.inc \
> $(SRC)/isos.inc
>
> forces_diag.f: $(SRC)/forces_diag.F
> forces_diag.o: forces_diag.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/elct.inc $(SRC)/ener.inc $(SRC)/norm.inc \
> $(SRC)/ropt.inc $(SRC)/andr.inc $(SRC)/andp.inc \
> $(SRC)/soft.inc $(SRC)/cotr.inc $(SRC)/tpar.inc \
> $(SRC)/store.inc $(SRC)/elct2.inc $(SRC)/pslo.inc \
> $(SRC)/kpts.inc $(SRC)/nlps.inc $(SRC)/fint.inc
>
> forces.f: $(SRC)/forces.F
> forces.o: forces.f $(SRC)/system.h $(SRC)/norm.inc $(SRC)/pslo.inc \
> $(SRC)/ropt.inc $(SRC)/elct.inc $(SRC)/geq0.inc \
> $(SRC)/cppt.inc $(SRC)/spin.inc $(SRC)/ions.inc \
> $(SRC)/kpts.inc $(SRC)/nlps.inc $(SRC)/ener.inc \
> $(SRC)/rswf.inc $(SRC)/fft.inc
>
> forces_p.f: $(SRC)/forces_p.F
> forces_p.o: forces_p.f $(SRC)/system.h $(SRC)/norm.inc \
> $(SRC)/pslo.inc $(SRC)/ropt.inc $(SRC)/elct.inc \
> $(SRC)/geq0.inc $(SRC)/cppt.inc $(SRC)/spin.inc \
> $(SRC)/ions.inc $(SRC)/kpts.inc $(SRC)/nlps.inc \
> $(SRC)/response_p.inc $(SRC)/ener.inc
>
> formf.f: $(SRC)/formf.F
> formf.o: formf.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/atom.inc \
> $(SRC)/ions.inc $(SRC)/dpot.inc $(SRC)/ragg.inc \
> $(SRC)/cppt.inc $(SRC)/qspl.inc $(SRC)/gvec.inc \
> $(SRC)/sgpp.inc $(SRC)/pslo.inc $(SRC)/vdbp.inc
>
> freem.f: $(SRC)/freem.F
> freem.o: freem.f $(SRC)/system.h $(SRC)/memc.inc
>
> freqs.f: $(SRC)/freqs.F
> freqs.o: freqs.f $(SRC)/system.h $(SRC)/harm.inc $(SRC)/elct.inc \
> $(SRC)/nlps.inc $(SRC)/ions.inc $(SRC)/pslo.inc \
> $(SRC)/cppt.inc $(SRC)/cvan.inc $(SRC)/tpar.inc \
> $(SRC)/sgpp.inc $(SRC)/metr.inc $(SRC)/simul.inc
>
> friesner_c.f: $(SRC)/friesner_c.F
> friesner_c.o: friesner_c.f $(SRC)/system.h $(SRC)/nlps.inc \
> $(SRC)/fint.inc $(SRC)/geq0.inc $(DEST)/irat.inc
>
> friesner_c_p.f: $(SRC)/friesner_c_p.F
> friesner_c_p.o: friesner_c_p.f $(SRC)/system.h $(SRC)/nlps.inc \
> $(SRC)/fint.inc $(SRC)/geq0.inc $(DEST)/irat.inc
>
> friesner.f: $(SRC)/friesner.F
> friesner.o: friesner.f $(SRC)/system.h $(SRC)/nlps.inc \
> $(SRC)/fint.inc $(SRC)/geq0.inc $(DEST)/irat.inc \
> $(SRC)/kpts.inc
>
> frsblk_c.f: $(SRC)/frsblk_c.F
> frsblk_c.o: frsblk_c.f $(SRC)/system.h $(SRC)/nlps.inc \
> $(SRC)/fint.inc $(SRC)/geq0.inc $(DEST)/irat.inc \
> $(SRC)/kpts.inc
>
> frsblk.f: $(SRC)/frsblk.F
> frsblk.o: frsblk.f $(SRC)/system.h $(SRC)/nlps.inc $(SRC)/fint.inc \
> $(SRC)/geq0.inc $(DEST)/irat.inc $(SRC)/kpts.inc
>
> fstart.f: $(SRC)/fstart.F
> fstart.o: fstart.f $(SRC)/system.h $(SRC)/empf.inc
>
> fukui_p.f: $(SRC)/fukui_p.F
> fukui_p.o: fukui_p.f $(SRC)/system.h $(DEST)/irat.inc \
> $(SRC)/rmas.inc $(SRC)/cnst.inc $(SRC)/gvec.inc \
> $(SRC)/geq0.inc $(SRC)/prop.inc $(SRC)/metr.inc \
> $(SRC)/cppt.inc $(SRC)/spin.inc $(SRC)/response_p.inc \
> $(SRC)/fft.inc $(SRC)/ions.inc $(SRC)/coor.inc \
> $(SRC)/adat.inc $(SRC)/elct.inc $(SRC)/kpnt.inc \
> $(SRC)/nlps.inc $(SRC)/sfac.inc
>
> functionals.f: $(SRC)/functionals.F
> functionals.o: functionals.f $(SRC)/func.inc
>
> fusion.f: $(SRC)/fusion.F
> fusion.o: fusion.f $(SRC)/system.h $(SRC)/shop.inc $(SRC)/filn.inc \
> $(SRC)/coor.inc $(SRC)/store.inc $(SRC)/elct.inc
>
> gcener.f: $(SRC)/gcener.F
> gcener.o: gcener.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/fft.inc \
> $(SRC)/cppt.inc $(SRC)/strs.inc $(SRC)/func.inc \
> $(SRC)/tbxc.inc $(SRC)/spin.inc $(SRC)/tauf.inc
>
> gcxctbl.f: $(SRC)/gcxctbl.F
> gcxctbl.o: gcxctbl.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/tbxc.inc
>
> genxc.f: $(SRC)/genxc.F
> genxc.o: genxc.f $(SRC)/system.h $(SRC)/tbxc.inc $(SRC)/func.inc
>
> geofile.f: $(SRC)/geofile.F
> geofile.o: geofile.f $(SRC)/system.h $(SRC)/ions.inc
> $(SRC)/metr.inc \
> $(SRC)/pimd.inc $(SRC)/adat.inc $(SRC)/cnst.inc \
> $(SRC)/fileopen.inc $(DEST)/irat.inc $(SRC)/mm_dim.inc
>
> get_addr.f: $(SRC)/get_addr.F
> get_addr.o: get_addr.f
>
> getcor.f: $(SRC)/getcor.F
> getcor.o: getcor.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/pimd.inc
>
> getfnm.f: $(SRC)/getfnm.F
> getfnm.o: getfnm.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/rmas.inc \
> $(SRC)/pimd.inc
>
> getfu.f: $(SRC)/getfu.F
> getfu.o: getfu.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/rmas.inc \
> $(SRC)/pimd.inc
>
> getgyr.f: $(SRC)/getgyr.F
> getgyr.o: getgyr.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/rmas.inc \
> $(SRC)/pimd.inc
>
> gettrans.f: $(SRC)/gettrans.F
> gettrans.o: gettrans.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/linres.inc $(SRC)/cnst.inc
>
> gfft.f: $(SRC)/gfft.F
> gfft.o: gfft.f
>
> gfftmain.f: $(SRC)/gfftmain.F
> gfftmain.o: gfftmain.f $(SRC)/system.h $(SRC)/fft.inc
>
> ghermit.f: $(SRC)/ghermit.F
> ghermit.o: ghermit.f
>
> global.f: $(SRC)/global.F
> global.o: global.f $(SRC)/system.h $(SRC)/pimd.inc
>
> g_loc_dr.f: $(SRC)/g_loc_dr.F
> g_loc_dr.o: g_loc_dr.f $(SRC)/system.h $(SRC)/g_loc.inc \
> $(SRC)/spin.inc $(SRC)/store.inc $(SRC)/geq0.inc \
> $(SRC)/kpts.inc $(SRC)/wann.inc $(SRC)/fileopen.inc \
> $(SRC)/kpnt.inc $(SRC)/cppt.inc $(DEST)/irat.inc
>
> g_loc_exp_ide.f:$(SRC)/g_loc_exp_ide.F
> g_loc_exp_ide.o:g_loc_exp_ide.f $(SRC)/system.h $(SRC)/geq0.inc \
> $(SRC)/ions.inc $(SRC)/cnst.inc $(SRC)/ddip.inc \
> $(SRC)/gvec.inc $(DEST)/irat.inc $(SRC)/rmas.inc \
> $(SRC)/g_loc.inc $(SRC)/spin.inc $(SRC)/cppt.inc \
> $(SRC)/fileopen.inc
>
> g_loc_exp_sum.f:$(SRC)/g_loc_exp_sum.F
> g_loc_exp_sum.o:g_loc_exp_sum.f $(SRC)/system.h $(SRC)/geq0.inc \
> $(SRC)/ions.inc $(SRC)/cnst.inc $(SRC)/ddip.inc \
> $(SRC)/gvec.inc $(DEST)/irat.inc $(SRC)/rmas.inc \
> $(SRC)/g_loc.inc $(SRC)/spin.inc $(SRC)/cppt.inc \
> $(SRC)/wann.inc $(SRC)/fileopen.inc
>
> g_loc_opeigr.f: $(SRC)/g_loc_opeigr.F
> g_loc_opeigr.o: g_loc_opeigr.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/ddip.inc $(SRC)/g_loc.inc
>
> g_loc_optim.f: $(SRC)/g_loc_optim.F
> g_loc_optim.o: g_loc_optim.f $(SRC)/system.h $(SRC)/g_loc.inc \
> $(SRC)/wann.inc
>
> g_loc_realspace.f:$(SRC)/g_loc_realspace.F
> g_loc_realspace.o:g_loc_realspace.f $(SRC)/system.h $(SRC)/fft.inc \
> $(DEST)/irat.inc $(SRC)/cppt.inc $(SRC)/g_loc.inc \
> $(SRC)/cell.inc $(SRC)/gvec.inc $(SRC)/ions.inc \
> $(SRC)/coor.inc $(SRC)/cnst.inc $(SRC)/fileopen.inc
>
> g_loc_spread_ide.f:$(SRC)/g_loc_spread_ide.F
> g_loc_spread_ide.o:g_loc_spread_ide.f $(SRC)/system.h $(SRC)/geq0.inc \
> $(SRC)/ions.inc $(SRC)/cnst.inc $(SRC)/ddip.inc \
> $(SRC)/gvec.inc $(DEST)/irat.inc $(SRC)/rmas.inc \
> $(SRC)/g_loc.inc $(SRC)/spin.inc $(SRC)/cppt.inc \
> $(SRC)/fileopen.inc $(SRC)/metr.inc
>
> g_loc_spread_sum.f:$(SRC)/g_loc_spread_sum.F
> g_loc_spread_sum.o:g_loc_spread_sum.f $(SRC)/system.h $(SRC)/geq0.inc \
> $(SRC)/ions.inc $(SRC)/cnst.inc $(SRC)/ddip.inc \
> $(SRC)/gvec.inc $(DEST)/irat.inc $(SRC)/rmas.inc \
> $(SRC)/g_loc.inc $(SRC)/spin.inc $(SRC)/cppt.inc \
> $(SRC)/fileopen.inc
>
> g_loc_util.f: $(SRC)/g_loc_util.F
> g_loc_util.o: g_loc_util.f $(SRC)/g_loc.inc $(SRC)/system.h \
> $(SRC)/cppt.inc $(SRC)/geq0.inc $(SRC)/fileopen.inc
>
> g_loc_xyzmat.f: $(SRC)/g_loc_xyzmat.F
> g_loc_xyzmat.o: g_loc_xyzmat.f $(SRC)/system.h $(SRC)/geq0.inc \
> $(SRC)/cnst.inc $(SRC)/ddip.inc $(SRC)/gvec.inc \
> $(DEST)/irat.inc $(SRC)/wann.inc $(SRC)/spin.inc \
> $(SRC)/elct.inc $(SRC)/g_loc.inc
>
> glomax.f: $(SRC)/glomax.F
> glomax.o: glomax.f $(SRC)/system.h
>
> glomin.f: $(SRC)/glomin.F
> glomin.o: glomin.f $(SRC)/system.h
>
> glopar.f: $(SRC)/glopar.F
> glopar.o: glopar.f $(SRC)/system.h
>
> glosum.f: $(SRC)/glosum.F
> glosum.o: glosum.f $(SRC)/system.h
>
> gmopts.f: $(SRC)/gmopts.F
> gmopts.o: gmopts.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/elct.inc \
> $(SRC)/pslo.inc $(SRC)/nlps.inc $(SRC)/atwf.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(SRC)/str2.inc \
> $(SRC)/spin.inc $(SRC)/linres.inc $(SRC)/coor.inc \
> $(SRC)/bsym.inc $(SRC)/ddip.inc
>
> gndstate_p.f: $(SRC)/gndstate_p.F
> gndstate_p.o: gndstate_p.f $(SRC)/system.h $(SRC)/gvec.inc \
> $(DEST)/irat.inc $(SRC)/response_p.inc $(SRC)/cppt.inc \
> $(SRC)/fileopen.inc
>
> graden.f: $(SRC)/graden.F
> graden.o: graden.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/fft.inc \
> $(SRC)/cppt.inc
>
> groups.f: $(SRC)/groups.F
> groups.o: groups.f $(SRC)/system.h $(DEST)/irat.inc
>
> gsize.f: $(SRC)/gsize.F
> gsize.o: gsize.f $(SRC)/system.h $(SRC)/ions.inc
>
> gsortho.f: $(SRC)/gsortho.F
> gsortho.o: gsortho.f $(SRC)/system.h $(SRC)/geq0.inc
>
> h0psi1_p.f: $(SRC)/h0psi1_p.F
> h0psi1_p.o: h0psi1_p.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/pslo.inc $(SRC)/ropt.inc $(SRC)/ener.inc \
> $(SRC)/response_p.inc $(SRC)/sfac.inc $(SRC)/ions.inc \
> $(SRC)/geq0.inc $(SRC)/fft.inc
>
> hardness_p.f: $(SRC)/hardness_p.F
> hardness_p.o: hardness_p.f $(SRC)/system.h $(SRC)/fft.inc \
> $(SRC)/coor.inc $(SRC)/cnst.inc $(SRC)/adat.inc \
> $(SRC)/ions.inc $(SRC)/nlps.inc $(SRC)/cppt.inc \
> $(SRC)/geq0.inc $(SRC)/soft.inc $(SRC)/response_p.inc \
> $(SRC)/fileopen.inc
>
> header.f: $(SRC)/header.F
> header.o: header.f $(SRC)/envj.inc
>
> hesele.f: $(SRC)/hesele.F
> hesele.o: hesele.f $(SRC)/system.h $(SRC)/cppt.inc $(SRC)/nlps.inc \
> $(SRC)/ions.inc $(SRC)/pslo.inc $(SRC)/cvan.inc \
> $(SRC)/sgpp.inc $(SRC)/simul.inc
>
> hesele_p.f: $(SRC)/hesele_p.F
> hesele_p.o: hesele_p.f $(SRC)/system.h $(SRC)/cppt.inc \
> $(SRC)/nlps.inc $(SRC)/ions.inc $(SRC)/pslo.inc \
> $(SRC)/cvan.inc $(SRC)/sgpp.inc $(SRC)/simul.inc \
> $(SRC)/elct.inc $(SRC)/response_p.inc
>
> hess_eta_p.f: $(SRC)/hess_eta_p.F
> hess_eta_p.o: hess_eta_p.f $(SRC)/system.h $(SRC)/ions.inc \
> $(DEST)/irat.inc $(SRC)/symm.inc $(SRC)/rmas.inc \
> $(SRC)/cotr.inc $(SRC)/adat.inc $(SRC)/coor.inc \
> $(SRC)/soft.inc $(SRC)/store.inc $(SRC)/elct.inc \
> $(SRC)/spin.inc $(SRC)/sfac.inc $(SRC)/nlps.inc \
> $(SRC)/pslo.inc $(SRC)/atwf.inc $(SRC)/kpts.inc \
> $(SRC)/kpnt.inc $(SRC)/fft.inc $(SRC)/response_p.inc \
> $(SRC)/prop.inc $(SRC)/implhv.inc
>
> hessin.f: $(SRC)/hessin.F
> hessin.o: hessin.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/cotr.inc \
> $(SRC)/fileopen.inc
>
> hessout.f: $(SRC)/hessout.F
> hessout.o: hessout.f $(SRC)/system.h $(SRC)/ions.inc
> $(SRC)/cotr.inc \
> $(SRC)/fileopen.inc
>
> hessup.f: $(SRC)/hessup.F
> hessup.o: hessup.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/cotr.inc
>
> hfx.f: $(SRC)/hfx.F
> hfx.o: hfx.f $(SRC)/system.h $(SRC)/ener.inc $(SRC)/cppt.inc \
> $(SRC)/geq0.inc $(SRC)/spin.inc $(SRC)/fft.inc \
> $(SRC)/pslo.inc $(SRC)/kpts.inc $(SRC)/cnst.inc \
> $(SRC)/isos.inc $(SRC)/func.inc $(SRC)/rswf.inc \
> $(SRC)/hfx.inc
>
> hip.f: $(SRC)/hip.F
> hip.o: hip.f $(SRC)/system.h $(SRC)/fft.inc $(SRC)/isos.inc \
> $(SRC)/cppt.inc
>
> hipin.f: $(SRC)/hipin.F
> hipin.o: hipin.f $(SRC)/system.h $(SRC)/isos.inc $(SRC)/cppt.inc \
> $(SRC)/fft.inc $(SRC)/cnst.inc $(SRC)/gvec.inc \
> $(SRC)/geq0.inc
>
> hnlmat.f: $(SRC)/hnlmat.F
> hnlmat.o: hnlmat.f $(SRC)/system.h $(SRC)/nlps.inc $(SRC)/ions.inc \
> $(SRC)/pslo.inc $(SRC)/cvan.inc $(SRC)/sfac.inc \
> $(SRC)/cppt.inc $(SRC)/spin.inc $(SRC)/sgpp.inc
>
> hpfft.f: $(SRC)/hpfft.F
> hpfft.o: hpfft.f $(SRC)/system.h $(SRC)/fft.inc
>
> hpsi.f: $(SRC)/hpsi.F
> hpsi.o: hpsi.f $(SRC)/system.h $(SRC)/pslo.inc $(SRC)/ions.inc \
> $(SRC)/cvan.inc $(SRC)/elct.inc $(SRC)/norm.inc \
> $(SRC)/geq0.inc $(SRC)/spin.inc $(SRC)/nlps.inc \
> $(SRC)/kpts.inc
>
> htrstr.f: $(SRC)/htrstr.F
> htrstr.o: htrstr.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/cppt.inc \
> $(SRC)/geq0.inc $(SRC)/sfac.inc $(SRC)/pslo.inc \
> $(SRC)/ions.inc $(SRC)/strs.inc $(SRC)/str2.inc \
> $(SRC)/ragg.inc
>
> initclust.f: $(SRC)/initclust.F
> initclust.o: initclust.f $(SRC)/system.h $(SRC)/isos.inc \
> $(SRC)/cppt.inc $(SRC)/cnst.inc $(SRC)/geq0.inc \
> $(SRC)/ener.inc $(SRC)/func.inc $(SRC)/elct.inc \
> $(SRC)/rswf.inc $(SRC)/fft.inc $(SRC)/hfx.inc
>
> initrun.f: $(SRC)/initrun.F
> initrun.o: initrun.f $(SRC)/system.h $(SRC)/tpar.inc
> $(SRC)/elct.inc \
> $(SRC)/pslo.inc $(SRC)/norm.inc $(SRC)/ropt.inc \
> $(SRC)/cppt.inc $(SRC)/sfac.inc $(SRC)/coor.inc \
> $(SRC)/nlcc.inc $(SRC)/ions.inc $(SRC)/isos.inc \
> $(SRC)/nlps.inc $(SRC)/fint.inc $(SRC)/poin.inc \
> $(SRC)/andr.inc $(SRC)/andp.inc $(SRC)/cnst.inc \
> $(SRC)/spin.inc $(SRC)/metr.inc $(SRC)/kpts.inc \
> $(SRC)/shop.inc $(SRC)/store.inc $(SRC)/linres.inc \
> $(SRC)/bsym.inc $(SRC)/mm_dim.inc $(SRC)/mm_input.inc
>
> inr_dr.f: $(SRC)/inr_dr.F
> inr_dr.o: inr_dr.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/cotr.inc \
> $(SRC)/xinr.inc $(SRC)/response_p.inc $(SRC)/fft.inc \
> $(SRC)/implhv.inc $(SRC)/coor.inc $(SRC)/sfac.inc \
> $(SRC)/ropt.inc $(SRC)/norm.inc $(SRC)/soft.inc \
> $(DEST)/irat.inc $(SRC)/ener.inc $(SRC)/elct.inc \
> $(SRC)/nlps.inc $(SRC)/cppt.inc $(SRC)/cnst.inc \
> $(SRC)/rmas.inc $(SRC)/fileopen.inc
>
> inscan.f: $(SRC)/inscan.F
> inscan.o: inscan.f
>
> interaction_manno_p.f:$(SRC)/interaction_manno_p.F
> interaction_manno_p.o:interaction_manno_p.f $(SRC)/system.h \
> $(SRC)/response_p.inc $(SRC)/prop.inc $(SRC)/cnst.inc \
> $(SRC)/cppt.inc $(SRC)/ddip.inc $(SRC)/isos.inc \
> $(SRC)/wann.inc $(SRC)/coor.inc $(SRC)/store.inc \
> $(SRC)/ropt.inc $(SRC)/sfac.inc $(SRC)/elct.inc \
> $(SRC)/ener.inc $(SRC)/fft.inc $(SRC)/atwf.inc \
> $(SRC)/nlcc.inc $(SRC)/kpnt.inc $(SRC)/tpar.inc \
> $(SRC)/fileopen.inc $(SRC)/gvec.inc $(SRC)/ions.inc \
> $(SRC)/geq0.inc $(DEST)/irat.inc
>
> interaction_p.f:$(SRC)/interaction_p.F
> interaction_p.o:interaction_p.f $(SRC)/system.h $(SRC)/response_p.inc \
> $(SRC)/prop.inc $(SRC)/cnst.inc $(SRC)/cppt.inc \
> $(SRC)/ddip.inc $(SRC)/isos.inc $(SRC)/wann.inc \
> $(SRC)/coor.inc $(SRC)/store.inc $(SRC)/ropt.inc \
> $(SRC)/sfac.inc $(SRC)/elct.inc $(SRC)/ener.inc \
> $(SRC)/fft.inc $(SRC)/atwf.inc $(SRC)/nlcc.inc \
> $(SRC)/kpnt.inc $(SRC)/tpar.inc $(SRC)/geq0.inc \
> $(DEST)/irat.inc
>
> interp3d.f: $(SRC)/interp3d.F
> interp3d.o: interp3d.f
>
> interpt.f: $(SRC)/interpt.F
> interpt.o: interpt.f $(SRC)/system.h $(SRC)/elct.inc
> $(SRC)/ions.inc \
> $(SRC)/pslo.inc
>
> jacobi_c.f: $(SRC)/jacobi_c.F
> jacobi_c.o: jacobi_c.f
>
> jacobi.f: $(SRC)/jacobi.F
> jacobi.o: jacobi.f
>
> jrotation.f: $(SRC)/jrotation.F
> jrotation.o: jrotation.f $(SRC)/system.h $(SRC)/wann.inc \
> $(SRC)/spin.inc $(SRC)/pslo.inc $(SRC)/isos.inc
>
> k290_2.f: $(SRC)/k290_2.F
> k290_2.o: k290_2.f
>
> k290.f: $(SRC)/k290.F
> k290.o: k290.f
>
> kddipo.f: $(SRC)/kddipo.F
> kddipo.o: kddipo.f $(SRC)/system.h $(SRC)/kpnt.inc $(SRC)/kpts.inc \
> $(DEST)/irat.inc $(SRC)/store.inc
>
> k_diis_rhofix.f:$(SRC)/k_diis_rhofix.F
> k_diis_rhofix.o:k_diis_rhofix.f $(SRC)/system.h $(SRC)/norm.inc \
> $(SRC)/ions.inc $(SRC)/ropt.inc $(SRC)/tpar.inc \
> $(SRC)/soft.inc $(SRC)/pslo.inc $(SRC)/cppt.inc \
> $(SRC)/geq0.inc $(SRC)/ener.inc $(SRC)/kpnt.inc \
> $(SRC)/kpts.inc $(SRC)/elct.inc $(SRC)/spin.inc \
> $(SRC)/store.inc
>
> kdp_diag.f: $(SRC)/kdp_diag.F
> kdp_diag.o: kdp_diag.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/elct.inc $(SRC)/ropt.inc
>
> kdpoints.f: $(SRC)/kdpoints.F
> kdpoints.o: kdpoints.f $(SRC)/system.h $(SRC)/gvec.inc \
> $(SRC)/kdp.inc $(SRC)/kdpc.inc $(SRC)/kpnt.inc \
> $(DEST)/irat.inc
>
> kdp_prep.f: $(SRC)/kdp_prep.F
> kdp_prep.o: kdp_prep.f $(SRC)/system.h $(SRC)/cppt.inc \
> $(SRC)/spin.inc $(SRC)/cnst.inc
>
> kdp_rho.f: $(SRC)/kdp_rho.F
> kdp_rho.o: kdp_rho.f $(SRC)/system.h $(SRC)/spin.inc $(SRC)/fft.inc
>
> kdp_stress_kin.f:$(SRC)/kdp_stress_kin.F
> kdp_stress_kin.o:kdp_stress_kin.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/strs.inc
>
> k_forces.f: $(SRC)/k_forces.F
> k_forces.o: k_forces.f $(SRC)/system.h $(SRC)/norm.inc \
> $(SRC)/pslo.inc $(SRC)/ropt.inc $(SRC)/elct.inc \
> $(SRC)/fft.inc $(SRC)/geq0.inc $(SRC)/cppt.inc \
> $(SRC)/spin.inc $(SRC)/ions.inc $(SRC)/kpts.inc \
> $(SRC)/cvan.inc $(SRC)/nlps.inc $(SRC)/sfac.inc \
> $(SRC)/ener.inc $(SRC)/kpnt.inc $(SRC)/tpar.inc \
> $(SRC)/andp.inc $(SRC)/response_p.inc $(SRC)/cnst.inc \
> $(SRC)/broy.inc $(SRC)/time.inc $(SRC)/envj.inc \
> $(SRC)/rswf.inc $(DEST)/irat.inc
>
> k_hesele.f: $(SRC)/k_hesele.F
> k_hesele.o: k_hesele.f $(SRC)/system.h $(SRC)/cppt.inc \
> $(SRC)/nlps.inc $(SRC)/ions.inc $(SRC)/pslo.inc \
> $(SRC)/cvan.inc $(SRC)/sgpp.inc $(SRC)/simul.inc \
> $(SRC)/kpnt.inc
>
> kin_energy.f: $(SRC)/kin_energy.F
> kin_energy.o: kin_energy.f $(SRC)/system.h $(SRC)/ener.inc \
> $(SRC)/elct.inc $(SRC)/geq0.inc $(SRC)/cppt.inc \
> $(SRC)/prcp.inc $(SRC)/spin.inc
>
> k_odiis.f: $(SRC)/k_odiis.F
> k_odiis.o: k_odiis.f $(SRC)/system.h $(SRC)/ener.inc
> $(SRC)/elct.inc \
> $(SRC)/geq0.inc $(SRC)/kpts.inc
>
> k_pcgrad.f: $(SRC)/k_pcgrad.F
> k_pcgrad.o: k_pcgrad.f $(SRC)/system.h $(SRC)/ions.inc \
> $(SRC)/ener.inc $(SRC)/elct.inc $(SRC)/tpar.inc \
> $(SRC)/pslo.inc $(SRC)/nlps.inc $(SRC)/ropt.inc \
> $(SRC)/kpnt.inc $(SRC)/kpts.inc $(DEST)/irat.inc
>
> kpclean.f: $(SRC)/kpclean.F
> kpclean.o: kpclean.f $(SRC)/system.h $(SRC)/sphe.inc
>
> kpert_potential_p.f:$(SRC)/kpert_potential_p.F
> kpert_potential_p.o:kpert_potential_p.f $(SRC)/system.h $(SRC)/nlps.inc \
> $(SRC)/ions.inc $(SRC)/pslo.inc $(SRC)/sfac.inc \
> $(SRC)/cppt.inc $(SRC)/sgpp.inc $(SRC)/kpnt.inc \
> $(SRC)/geq0.inc $(SRC)/response_p.inc $(SRC)/kpts.inc
>
> kpert_util_p.f: $(SRC)/kpert_util_p.F
> kpert_util_p.o: kpert_util_p.f $(SRC)/system.h $(SRC)/sfac.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(SRC)/response_p.inc
>
> ksdiag.f: $(SRC)/ksdiag.F
> ksdiag.o: ksdiag.f $(SRC)/system.h $(SRC)/cppt.inc $(SRC)/nlps.inc \
> $(SRC)/cnst.inc $(SRC)/ions.inc $(SRC)/pslo.inc \
> $(SRC)/cvan.inc $(SRC)/sgpp.inc $(SRC)/simul.inc
>
> ks_ener_p.f: $(SRC)/ks_ener_p.F
> ks_ener_p.o: ks_ener_p.f $(SRC)/system.h $(SRC)/ions.inc \
> $(SRC)/cnst.inc $(SRC)/coor.inc $(SRC)/sfac.inc \
> $(SRC)/elct.inc $(SRC)/kpts.inc $(SRC)/kpnt.inc \
> $(SRC)/cppt.inc $(SRC)/geq0.inc $(SRC)/response_p.inc
>
> ksmat.f: $(SRC)/ksmat.F
> ksmat.o: ksmat.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/spin.inc \
> $(SRC)/nlps.inc $(SRC)/cnst.inc $(SRC)/cvan.inc \
> $(SRC)/geq0.inc $(SRC)/pslo.inc $(SRC)/cppt.inc \
> $(SRC)/atwf.inc $(SRC)/kpts.inc
>
> k_updwf.f: $(SRC)/k_updwf.F
> k_updwf.o: k_updwf.f $(SRC)/system.h $(SRC)/norm.inc
> $(SRC)/ions.inc \
> $(SRC)/ropt.inc $(SRC)/tpar.inc $(SRC)/soft.inc \
> $(SRC)/pslo.inc $(SRC)/cppt.inc $(SRC)/geq0.inc \
> $(SRC)/ener.inc $(SRC)/kpnt.inc $(SRC)/elct.inc \
> $(SRC)/spin.inc
>
> lanc_phon_p.f: $(SRC)/lanc_phon_p.F
> lanc_phon_p.o: lanc_phon_p.f $(SRC)/system.h $(SRC)/ions.inc \
> $(DEST)/irat.inc $(SRC)/symm.inc $(SRC)/rmas.inc \
> $(SRC)/cotr.inc $(SRC)/adat.inc $(SRC)/coor.inc \
> $(SRC)/soft.inc $(SRC)/store.inc $(SRC)/elct.inc \
> $(SRC)/spin.inc $(SRC)/sfac.inc $(SRC)/nlps.inc \
> $(SRC)/pslo.inc $(SRC)/atwf.inc $(SRC)/kpts.inc \
> $(SRC)/kpnt.inc $(SRC)/fft.inc $(SRC)/response_p.inc \
> $(SRC)/cppt.inc $(SRC)/geq0.inc $(SRC)/prop.inc \
> $(SRC)/implhv.inc $(SRC)/fileopen.inc
>
> latgen.f: $(SRC)/latgen.F
> latgen.o: latgen.f
>
> ldos.f: $(SRC)/ldos.F
> ldos.o: ldos.f $(SRC)/system.h $(SRC)/spin.inc $(SRC)/elct.inc \
> $(SRC)/cnst.inc $(SRC)/geq0.inc $(SRC)/pslo.inc \
> $(SRC)/ener.inc $(SRC)/cppt.inc $(SRC)/sfac.inc \
> $(SRC)/fft.inc $(SRC)/ions.inc $(SRC)/prcp.inc \
> $(SRC)/ropt.inc $(SRC)/ldos.inc $(SRC)/kpts.inc \
> $(SRC)/kpnt.inc $(SRC)/fileopen.inc
>
> legendre_p.f: $(SRC)/legendre_p.F
> legendre_p.o: legendre_p.f $(SRC)/cnst.inc
>
> linalg.f: $(SRC)/linalg.F
> linalg.o: linalg.f $(SRC)/system.h
>
> loadpa.f: $(SRC)/loadpa.F
> loadpa.o: loadpa.f $(SRC)/system.h $(SRC)/elct.inc $(SRC)/gvec.inc \
> $(DEST)/irat.inc $(SRC)/cppt.inc $(SRC)/isos.inc \
> $(SRC)/pslo.inc $(SRC)/nlps.inc $(SRC)/geq0.inc \
> $(SRC)/nlcc.inc $(SRC)/kpts.inc $(SRC)/sfac.inc \
> $(SRC)/sphe.inc $(SRC)/ions.inc
>
> loadse.f: $(SRC)/loadse.F
> loadse.o: loadse.f $(SRC)/system.h $(SRC)/gvec.inc $(SRC)/elct.inc \
> $(DEST)/irat.inc $(SRC)/cppt.inc $(SRC)/cell.inc \
> $(SRC)/metr.inc $(SRC)/sphe.inc $(SRC)/ions.inc
>
> localize.f: $(SRC)/localize.F
> localize.o: localize.f $(SRC)/system.h $(SRC)/geq0.inc \
> $(SRC)/ions.inc $(SRC)/cnst.inc $(SRC)/ddip.inc \
> $(SRC)/gvec.inc $(DEST)/irat.inc $(SRC)/rmas.inc \
> $(SRC)/wann.inc $(SRC)/spin.inc $(SRC)/store.inc \
> $(SRC)/ropt.inc $(SRC)/linres.inc $(SRC)/response_p.inc
>
> lodipo.f: $(SRC)/lodipo.F
> lodipo.o: lodipo.f $(SRC)/system.h $(SRC)/lodp.inc $(SRC)/cppt.inc \
> $(SRC)/ions.inc $(SRC)/cnst.inc $(SRC)/geq0.inc
>
> lowdin.f: $(SRC)/lowdin.F
> lowdin.o: lowdin.f $(SRC)/system.h $(SRC)/sfac.inc $(SRC)/ions.inc \
> $(SRC)/geq0.inc $(SRC)/pslo.inc $(SRC)/spin.inc
>
> lr_diag.f: $(SRC)/lr_diag.F
> lr_diag.o: lr_diag.f $(SRC)/system.h $(SRC)/linres.inc \
> $(SRC)/elct.inc $(SRC)/spin.inc
>
> lr_force.f: $(SRC)/lr_force.F
> lr_force.o: lr_force.f $(SRC)/system.h $(SRC)/elct.inc \
> $(SRC)/spin.inc $(SRC)/poin.inc $(SRC)/rswf.inc
>
> lr_in.f: $(SRC)/lr_in.F
> lr_in.o: lr_in.f $(SRC)/system.h $(SRC)/spin.inc $(DEST)/irat.inc \
> $(SRC)/linres.inc $(SRC)/tpot.inc $(SRC)/mols.inc \
> $(SRC)/adat.inc $(SRC)/ions.inc $(SRC)/coor.inc
>
> lr_ortho.f: $(SRC)/lr_ortho.F
> lr_ortho.o: lr_ortho.f $(SRC)/system.h $(SRC)/cppt.inc \
> $(SRC)/spin.inc $(SRC)/geq0.inc
>
> lr_pcg.f: $(SRC)/lr_pcg.F
> lr_pcg.o: lr_pcg.f $(SRC)/system.h $(SRC)/linres.inc \
> $(SRC)/elct.inc $(SRC)/spin.inc $(SRC)/poin.inc \
> $(SRC)/cnst.inc $(SRC)/cppt.inc $(SRC)/geq0.inc \
> $(SRC)/fft.inc $(SRC)/isos.inc
>
> lr_tddft.f: $(SRC)/lr_tddft.F
> lr_tddft.o: lr_tddft.f $(SRC)/system.h $(SRC)/elct.inc \
> $(SRC)/poin.inc $(SRC)/spin.inc $(SRC)/isos.inc \
> $(SRC)/ener.inc $(SRC)/nlcc.inc $(SRC)/tpot.inc \
> $(SRC)/tauf.inc $(SRC)/linres.inc $(SRC)/efld.inc \
> $(SRC)/mm_input.inc $(SRC)/mm_dim.inc $(SRC)/cppt.inc \
> $(SRC)/pimd.inc
>
> lr_upd.f: $(SRC)/lr_upd.F
> lr_upd.o: lr_upd.f $(SRC)/system.h $(SRC)/tpar.inc $(SRC)/soft.inc \
> $(SRC)/norm.inc $(SRC)/ropt.inc $(SRC)/geq0.inc \
> $(SRC)/linres.inc $(SRC)/elct.inc $(SRC)/spin.inc
>
> lr_xcpot.f: $(SRC)/lr_xcpot.F
> lr_xcpot.o: lr_xcpot.f $(SRC)/system.h $(SRC)/func.inc \
> $(SRC)/spin.inc $(SRC)/nlcc.inc $(SRC)/linres.inc \
> $(SRC)/tbxc.inc
>
> lsd_elf.f: $(SRC)/lsd_elf.F
> lsd_elf.o: lsd_elf.f $(SRC)/system.h $(SRC)/cnst.inc
> $(SRC)/cppt.inc \
> $(SRC)/ions.inc $(SRC)/elct.inc $(SRC)/pslo.inc \
> $(SRC)/poin.inc $(SRC)/qspl.inc $(SRC)/fft.inc \
> $(SRC)/atwf.inc $(SRC)/ener.inc $(SRC)/prden.inc \
> $(SRC)/kpts.inc $(SRC)/pimd.inc $(SRC)/spin.inc \
> $(SRC)/bsym.inc
>
> lsd_func.f: $(SRC)/lsd_func.F
> lsd_func.o: lsd_func.f $(SRC)/func.inc
>
> lsfbtr.f: $(SRC)/lsfbtr.F
> lsfbtr.o: lsfbtr.f
>
> lsforce.f: $(SRC)/lsforce.F
> lsforce.o: lsforce.f $(SRC)/system.h $(SRC)/bsym.inc
>
> matrix_p.f: $(SRC)/matrix_p.F
> matrix_p.o: matrix_p.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/cnst.inc $(SRC)/pslo.inc $(SRC)/nlps.inc \
> $(SRC)/ions.inc $(SRC)/cppt.inc $(SRC)/geq0.inc \
> $(SRC)/kpts.inc $(SRC)/sfac.inc $(SRC)/sgpp.inc \
> $(SRC)/response_p.inc $(SRC)/ropt.inc
>
> mdclas.f: $(SRC)/mdclas.F
> mdclas.o: mdclas.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/ener.inc \
> $(SRC)/elct.inc $(SRC)/tpar.inc $(SRC)/pslo.inc \
> $(SRC)/ions.inc $(SRC)/soft.inc $(SRC)/nose.inc \
> $(SRC)/norm.inc $(SRC)/ropt.inc $(SRC)/cppt.inc \
> $(SRC)/coor.inc $(SRC)/geq0.inc $(SRC)/spin.inc \
> $(DEST)/irat.inc $(SRC)/nlcc.inc $(SRC)/cotr.inc \
> $(SRC)/nlps.inc $(SRC)/store.inc $(SRC)/kpts.inc \
> $(SRC)/clas.inc $(SRC)/temps.inc $(SRC)/comvel.inc \
> $(SRC)/fileopen.inc $(SRC)/metr.inc $(SRC)/movi.inc
>
> mddiag.f: $(SRC)/mddiag.F
> mddiag.o: mddiag.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/ener.inc \
> $(SRC)/elct.inc $(SRC)/tpar.inc $(SRC)/pslo.inc \
> $(SRC)/ions.inc $(SRC)/soft.inc $(SRC)/nose.inc \
> $(SRC)/norm.inc $(SRC)/ropt.inc $(SRC)/cppt.inc \
> $(SRC)/coor.inc $(SRC)/geq0.inc $(SRC)/spin.inc \
> $(DEST)/irat.inc $(SRC)/nlcc.inc $(SRC)/cotr.inc \
> $(SRC)/andr.inc $(SRC)/andp.inc $(SRC)/nlps.inc \
> $(SRC)/fint.inc $(SRC)/poin.inc $(SRC)/kpts.inc \
> $(SRC)/kpnt.inc $(SRC)/atwf.inc $(SRC)/store.inc \
> $(SRC)/linres.inc $(SRC)/response_p.inc $(SRC)/comvel.inc \
> $(SRC)/bsym.inc $(SRC)/cnst_dyn.inc $(SRC)/fileopen.inc
>
> mddiag-interaction_p.f:$(SRC)/mddiag-interaction_p.F
> mddiag-interaction_p.o:mddiag-interaction_p.f $(SRC)/system.h \
> $(SRC)/spin.inc $(SRC)/elct.inc $(SRC)/ener.inc \
> $(SRC)/norm.inc $(SRC)/ropt.inc $(SRC)/andr.inc \
> $(SRC)/andp.inc $(SRC)/soft.inc $(SRC)/store.inc \
> $(SRC)/response_p.inc $(SRC)/wann.inc $(SRC)/prop.inc \
> $(SRC)/ddip.inc $(DEST)/irat.inc $(SRC)/cppt.inc \
> $(SRC)/cnst.inc
>
> mdfile.f: $(SRC)/mdfile.F
> mdfile.o: mdfile.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/ener.inc \
> $(SRC)/elct.inc $(SRC)/tpar.inc $(SRC)/pslo.inc \
> $(SRC)/ions.inc $(SRC)/soft.inc $(SRC)/nose.inc \
> $(SRC)/norm.inc $(SRC)/ropt.inc $(SRC)/cppt.inc \
> $(SRC)/coor.inc $(SRC)/geq0.inc $(SRC)/spin.inc \
> $(DEST)/irat.inc $(SRC)/nlcc.inc $(SRC)/cotr.inc \
> $(SRC)/andr.inc $(SRC)/andp.inc $(SRC)/nlps.inc \
> $(SRC)/fint.inc $(SRC)/poin.inc $(SRC)/kpts.inc \
> $(SRC)/kpnt.inc $(SRC)/atwf.inc $(SRC)/store.inc \
> $(SRC)/linres.inc $(SRC)/response_p.inc $(SRC)/comvel.inc \
> $(SRC)/fileopen.inc
>
> mdmain.f: $(SRC)/mdmain.F
> mdmain.o: mdmain.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/ener.inc \
> $(SRC)/elct.inc $(SRC)/tpar.inc $(SRC)/pslo.inc \
> $(SRC)/ions.inc $(SRC)/soft.inc $(SRC)/nose.inc \
> $(SRC)/norm.inc $(SRC)/ropt.inc $(SRC)/cppt.inc \
> $(SRC)/coor.inc $(SRC)/geq0.inc $(SRC)/spin.inc \
> $(DEST)/irat.inc $(SRC)/nlcc.inc $(SRC)/cotr.inc \
> $(SRC)/nlps.inc $(SRC)/store.inc $(SRC)/kpts.inc \
> $(SRC)/wann.inc $(SRC)/cnst_dyn.inc $(SRC)/adat.inc \
> $(SRC)/comvel.inc $(SRC)/bsym.inc $(SRC)/bsympnt.inc \
> $(SRC)/fileopen.inc
>
> mdpt.f: $(SRC)/mdpt.F
> mdpt.o: mdpt.f $(SRC)/system.h $(SRC)/elct.inc $(SRC)/pslo.inc \
> $(SRC)/ions.inc $(SRC)/nlps.inc $(SRC)/atwf.inc \
> $(SRC)/kpts.inc $(SRC)/str2.inc $(SRC)/clas.inc \
> $(SRC)/ddip.inc $(SRC)/linres.inc $(SRC)/bsym.inc \
> $(SRC)/shop.inc $(SRC)/mm_dim.inc
>
> mdshop_bo.f: $(SRC)/mdshop_bo.F
> mdshop_bo.o: mdshop_bo.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/ener.inc $(SRC)/elct.inc $(SRC)/tpar.inc \
> $(SRC)/pslo.inc $(SRC)/ions.inc $(SRC)/soft.inc \
> $(SRC)/nose.inc $(SRC)/norm.inc $(SRC)/ropt.inc \
> $(SRC)/cppt.inc $(SRC)/coor.inc $(SRC)/geq0.inc \
> $(SRC)/spin.inc $(DEST)/irat.inc $(SRC)/nlcc.inc \
> $(SRC)/cotr.inc $(SRC)/andr.inc $(SRC)/andp.inc \
> $(SRC)/nlps.inc $(SRC)/fint.inc $(SRC)/poin.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(SRC)/atwf.inc \
> $(SRC)/store.inc $(SRC)/linres.inc $(SRC)/response_p.inc \
> $(SRC)/comvel.inc $(SRC)/bsym.inc $(SRC)/cnst_dyn.inc \
> $(SRC)/fileopen.inc $(SRC)/wann.inc $(SRC)/shop.inc
>
> mdshop_cp.f: $(SRC)/mdshop_cp.F
> mdshop_cp.o: mdshop_cp.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/coor.inc $(SRC)/cotr.inc $(SRC)/cppt.inc \
> $(SRC)/elct.inc $(SRC)/ener.inc $(SRC)/fileopen.inc \
> $(SRC)/geq0.inc $(SRC)/ions.inc $(DEST)/irat.inc \
> $(SRC)/kpts.inc $(SRC)/nlcc.inc $(SRC)/nlps.inc \
> $(SRC)/norm.inc $(SRC)/nose.inc $(SRC)/pslo.inc \
> $(SRC)/ropt.inc $(SRC)/shop.inc $(SRC)/soft.inc \
> $(SRC)/spin.inc $(SRC)/store.inc $(SRC)/tpar.inc \
> $(SRC)/wann.inc
>
> memory.f: $(SRC)/memory.F
> memory.o: memory.f $(SRC)/system.h $(SRC)/memc.inc $(DEST)/irat.inc
>
> meta_cell.f: $(SRC)/meta_cell.F
> meta_cell.o: meta_cell.f $(SRC)/system.h $(SRC)/ions.inc \
> $(SRC)/cotr.inc $(SRC)/rmas.inc $(SRC)/cnst_dyn.inc \
> $(SRC)/metr.inc $(SRC)/strs.inc $(DEST)/irat.inc \
> $(SRC)/tpar.inc $(SRC)/ropt.inc $(SRC)/soft.inc \
> $(SRC)/store.inc $(SRC)/fileopen.inc $(SRC)/ener.inc \
> $(SRC)/prcp.inc
>
> meta_colvar.f: $(SRC)/meta_colvar.F
> meta_colvar.o: meta_colvar.f $(SRC)/system.h $(SRC)/ions.inc \
> $(SRC)/cotr.inc $(SRC)/cnst_dyn.inc $(DEST)/irat.inc \
> $(SRC)/tpar.inc $(SRC)/ropt.inc $(SRC)/soft.inc \
> $(SRC)/store.inc $(SRC)/adat.inc $(SRC)/cnst.inc \
> $(SRC)/strs.inc $(SRC)/fileopen.inc
>
> meta_colvar_inp.f:$(SRC)/meta_colvar_inp.F
> meta_colvar_inp.o:meta_colvar_inp.f $(SRC)/system.h $(SRC)/cotr.inc \
> $(DEST)/irat.inc $(SRC)/store.inc $(SRC)/ions.inc \
> $(SRC)/prcp.inc $(SRC)/cnst_dyn.inc $(SRC)/mm_dim.inc \
> $(SRC)/mm_input.inc
>
> meta_colvar_util.f:$(SRC)/meta_colvar_util.F
> meta_colvar_util.o:meta_colvar_util.f $(SRC)/system.h
> $(SRC)/cnst_dyn.inc \
> $(SRC)/ener.inc $(SRC)/nose.inc $(SRC)/cnst.inc \
> $(SRC)/ropt.inc $(SRC)/fileopen.inc $(SRC)/cotr.inc \
> $(SRC)/tpar.inc $(SRC)/ions.inc
>
> meta_cv.f: $(SRC)/meta_cv.F
> meta_cv.o: meta_cv.f $(SRC)/system.h $(SRC)/ions.inc
> $(SRC)/isos.inc \
> $(SRC)/cotr.inc $(DEST)/irat.inc $(SRC)/adat.inc \
> $(SRC)/fileopen.inc $(SRC)/cnst_dyn.inc $(SRC)/strs.inc \
> $(SRC)/metr.inc
>
> meta_cv_qmmm.f: $(SRC)/meta_cv_qmmm.F
> meta_cv_qmmm.o: meta_cv_qmmm.f $(SRC)/system.h $(SRC)/ions.inc \
> $(SRC)/isos.inc $(SRC)/cotr.inc $(SRC)/mm_dim.inc \
> $(SRC)/mm_input.inc $(DEST)/irat.inc $(SRC)/fileopen.inc
>
> meta_dyn_def.f: $(SRC)/meta_dyn_def.F
> meta_dyn_def.o: meta_dyn_def.f $(SRC)/system.h $(SRC)/cnst_dyn.inc \
> $(SRC)/store.inc
>
> meta_exlagr.f: $(SRC)/meta_exlagr.F
> meta_exlagr.o: meta_exlagr.f $(SRC)/system.h $(SRC)/ions.inc \
> $(SRC)/cotr.inc $(SRC)/cnst_dyn.inc $(DEST)/irat.inc \
> $(SRC)/tpar.inc $(SRC)/ropt.inc $(SRC)/soft.inc \
> $(SRC)/store.inc $(SRC)/adat.inc $(SRC)/cnst.inc \
> $(SRC)/strs.inc $(SRC)/fileopen.inc
>
> meta_exlagr_util.f:$(SRC)/meta_exlagr_util.F
> meta_exlagr_util.o:meta_exlagr_util.f $(SRC)/system.h
> $(SRC)/cnst_dyn.inc \
> $(SRC)/cnst.inc $(SRC)/ener.inc $(SRC)/nose.inc \
> $(SRC)/ropt.inc $(SRC)/fileopen.inc $(DEST)/irat.inc \
> $(SRC)/ions.inc $(SRC)/strs.inc $(SRC)/metr.inc
>
> meta_exl_mult.f:$(SRC)/meta_exl_mult.F
> meta_exl_mult.o:meta_exl_mult.f $(SRC)/system.h $(SRC)/ions.inc \
> $(SRC)/cotr.inc $(SRC)/cnst_dyn.inc $(DEST)/irat.inc \
> $(SRC)/tpar.inc $(SRC)/ropt.inc $(SRC)/soft.inc \
> $(SRC)/store.inc $(SRC)/adat.inc $(SRC)/cnst.inc \
> $(SRC)/fileopen.inc
>
> meta_ex_mul_util.f:$(SRC)/meta_ex_mul_util.F
> meta_ex_mul_util.o:meta_ex_mul_util.f $(SRC)/system.h
> $(SRC)/cnst_dyn.inc \
> $(SRC)/cnst.inc $(SRC)/ener.inc $(SRC)/nose.inc \
> $(SRC)/ropt.inc $(SRC)/fileopen.inc
>
> metafun.f: $(SRC)/metafun.F
> metafun.o: metafun.f $(SRC)/func.inc
>
> meta_hpot.f: $(SRC)/meta_hpot.F
> meta_hpot.o: meta_hpot.f $(SRC)/system.h $(SRC)/cnst_dyn.inc \
> $(SRC)/cnst.inc
>
> meta_localizespin.f:$(SRC)/meta_localizespin.F
> meta_localizespin.o:meta_localizespin.f $(SRC)/system.h $(SRC)/gvec.inc \
> $(SRC)/cell.inc $(DEST)/irat.inc $(SRC)/prcp.inc \
> $(SRC)/spin.inc $(SRC)/fft.inc $(SRC)/cnst_dyn.inc \
> $(SRC)/coor.inc $(SRC)/ions.inc
>
> mixing_g.f: $(SRC)/mixing_g.F
> mixing_g.o: mixing_g.f $(SRC)/system.h $(SRC)/andr.inc \
> $(SRC)/broy.inc $(SRC)/spin.inc $(SRC)/geq0.inc \
> $(SRC)/cppt.inc
>
> mixing_r.f: $(SRC)/mixing_r.F
> mixing_r.o: mixing_r.f $(SRC)/system.h $(SRC)/andr.inc \
> $(SRC)/spin.inc
>
> mltfft.f: $(SRC)/mltfft.F
> mltfft.o: mltfft.f $(SRC)/system.h
>
> mm_cpmd_add_MM_forces_f77.f:$(SRC)/mm_cpmd_add_MM_forces_f77.F
> mm_cpmd_add_MM_forces_f77.o:mm_cpmd_add_MM_forces_f77.f $(SRC)/system.h \
> $(SRC)/ions.inc $(SRC)/adat.inc
>
> mm_cpmd_esp_charges_f77.f:$(SRC)/mm_cpmd_esp_charges_f77.F
> mm_cpmd_esp_charges_f77.o:mm_cpmd_esp_charges_f77.f $(SRC)/system.h \
> $(SRC)/elct.inc $(SRC)/epot.inc $(SRC)/efld.inc \
> $(SRC)/ions.inc $(SRC)/ener.inc $(SRC)/prop.inc \
> $(SRC)/dipo.inc $(SRC)/lodp.inc $(SRC)/atwf.inc \
> $(SRC)/geq0.inc $(SRC)/isos.inc $(SRC)/cppt.inc \
> $(DEST)/irat.inc $(SRC)/pslo.inc $(SRC)/fft.inc
>
> mm_cpmd_ext_pot_f77.f:$(SRC)/mm_cpmd_ext_pot_f77.F
> mm_cpmd_ext_pot_f77.o:mm_cpmd_ext_pot_f77.f $(SRC)/system.h \
> $(SRC)/epot.inc $(SRC)/efld.inc $(SRC)/cell.inc
>
> mm_dim.f: $(SRC)/mm_dim.F
> mm_dim.o: mm_dim.f $(SRC)/system.h $(SRC)/tpar.inc $(SRC)/ions.inc \
> $(SRC)/mm_dim.inc $(SRC)/mm_input.inc
>
> mm_forces_diag.f:$(SRC)/mm_forces_diag.F
> mm_forces_diag.o:mm_forces_diag.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/elct.inc $(SRC)/ener.inc $(SRC)/norm.inc \
> $(SRC)/ropt.inc $(SRC)/andr.inc $(SRC)/andp.inc \
> $(SRC)/soft.inc $(SRC)/store.inc $(SRC)/linres.inc \
> $(SRC)/mm_input.inc $(DEST)/irat.inc
>
> mm_init.f: $(SRC)/mm_init.F
> mm_init.o: mm_init.f $(SRC)/system.h $(DEST)/irat.inc \
> $(SRC)/coor.inc $(SRC)/rmas.inc $(SRC)/ions.inc \
> $(SRC)/store.inc $(SRC)/isos.inc $(SRC)/cell.inc \
> $(SRC)/mm_dim.inc $(SRC)/mm_input.inc
> $(SRC)/mm_ion_dens.inc
>
> mm_mddiag.f: $(SRC)/mm_mddiag.F
> mm_mddiag.o: mm_mddiag.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/ener.inc $(SRC)/elct.inc $(SRC)/tpar.inc \
> $(SRC)/pslo.inc $(SRC)/ions.inc $(SRC)/soft.inc \
> $(SRC)/nose.inc $(SRC)/norm.inc $(SRC)/ropt.inc \
> $(SRC)/cppt.inc $(SRC)/coor.inc $(SRC)/geq0.inc \
> $(SRC)/spin.inc $(DEST)/irat.inc $(SRC)/nlcc.inc \
> $(SRC)/cotr.inc $(SRC)/andr.inc $(SRC)/andp.inc \
> $(SRC)/nlps.inc $(SRC)/fint.inc $(SRC)/poin.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(SRC)/atwf.inc \
> $(SRC)/store.inc $(SRC)/linres.inc $(SRC)/response_p.inc \
> $(SRC)/rmas.inc $(SRC)/isos.inc $(SRC)/cnst_dyn.inc \
> $(SRC)/comvel.inc $(SRC)/fileopen.inc $(SRC)/efld.inc \
> $(SRC)/mm_dim.inc $(SRC)/mm_input.inc $(SRC)/mm_extrap.inc
>
> mm_mdmain.f: $(SRC)/mm_mdmain.F
> mm_mdmain.o: mm_mdmain.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/ener.inc $(SRC)/elct.inc $(SRC)/tpar.inc \
> $(SRC)/pslo.inc $(SRC)/ions.inc $(SRC)/soft.inc \
> $(SRC)/nose.inc $(SRC)/norm.inc $(SRC)/ropt.inc \
> $(SRC)/cppt.inc $(SRC)/coor.inc $(SRC)/geq0.inc \
> $(SRC)/spin.inc $(DEST)/irat.inc $(SRC)/nlcc.inc \
> $(SRC)/cotr.inc $(SRC)/nlps.inc $(SRC)/store.inc \
> $(SRC)/kpts.inc $(SRC)/wann.inc $(SRC)/rmas.inc \
> $(SRC)/cnst_dyn.inc $(SRC)/adat.inc $(SRC)/comvel.inc \
> $(SRC)/fileopen.inc $(SRC)/bsym.inc $(SRC)/efld.inc \
> $(SRC)/mm_dim.inc $(SRC)/mm_input.inc
>
> mm_mdshop_bo.f: $(SRC)/mm_mdshop_bo.F
> mm_mdshop_bo.o: mm_mdshop_bo.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/ener.inc $(SRC)/elct.inc $(SRC)/tpar.inc \
> $(SRC)/pslo.inc $(SRC)/ions.inc $(SRC)/soft.inc \
> $(SRC)/nose.inc $(SRC)/norm.inc $(SRC)/ropt.inc \
> $(SRC)/cppt.inc $(SRC)/coor.inc $(SRC)/geq0.inc \
> $(SRC)/spin.inc $(DEST)/irat.inc $(SRC)/nlcc.inc \
> $(SRC)/cotr.inc $(SRC)/andr.inc $(SRC)/andp.inc \
> $(SRC)/nlps.inc $(SRC)/fint.inc $(SRC)/poin.inc \
> $(SRC)/kpts.inc $(SRC)/kpnt.inc $(SRC)/atwf.inc \
> $(SRC)/store.inc $(SRC)/linres.inc $(SRC)/response_p.inc \
> $(SRC)/rmas.inc $(SRC)/isos.inc $(SRC)/cnst_dyn.inc \
> $(SRC)/comvel.inc $(SRC)/fileopen.inc $(SRC)/shop.inc \
> $(SRC)/wann.inc $(SRC)/efld.inc $(SRC)/mm_dim.inc \
> $(SRC)/mm_input.inc $(SRC)/mm_extrap.inc
>
> mm_mdshop_cp.f: $(SRC)/mm_mdshop_cp.F
> mm_mdshop_cp.o: mm_mdshop_cp.f $(SRC)/system.h $(SRC)/cnst.inc \
> $(SRC)/ener.inc $(SRC)/elct.inc $(SRC)/tpar.inc \
> $(SRC)/pslo.inc $(SRC)/ions.inc $(SRC)/soft.inc \
> $(SRC)/nose.inc $(SRC)/norm.inc $(SRC)/ropt.inc \
> $(SRC)/cppt.inc $(SRC)/coor.inc $(SRC)/geq0.inc \
> $(SRC)/spin.inc $(DEST)/irat.inc $(SRC)/nlcc.inc \
> $(SRC)/cotr.inc $(SRC)/nlps.inc $(SRC)/store.inc \
> $(SRC)/kpts.inc $(SRC)/wann.inc $(SRC)/rmas.inc \
> $(SRC)/cnst_dyn.inc $(SRC)/adat.inc $(SRC)/comvel.inc \
> $(SRC)/fileopen.inc $(SRC)/shop.inc $(SRC)/efld.inc \
> $(SRC)/mm_dim.inc $(SRC)/mm_input.inc
>
> mm_qmmm_forcedr_bs.f:$(SRC)/mm_qmmm_forcedr_bs.F
> mm_qmmm_forcedr_bs.o:mm_qmmm_forcedr_bs.f $(SRC)/system.h
> $(SRC)/ener.inc \
> $(SRC)/elct.inc $(DEST)/irat.inc $(SRC)/ropt.inc \
> $(SRC)/spin.inc $(SRC)/bsym.inc $(SRC)/mm_input.inc \
> $(SRC)/mm_dim.inc
>
> mm_qmmm_forcedr.f:$(SRC)/mm_qmmm_forcedr.F
> mm_qmmm_forcedr.o:mm_qmmm_forcedr.f $(SRC)/system.h $(SRC)/ener.inc \
> $(DEST)/irat.inc $(SRC)/ropt.inc $(SRC)/bsym.inc \
> $(SRC)/mm_input.inc $(SRC)/mm_dim.inc
>
> mm_rho_forcedr.f:$(SRC)/mm_rho_forcedr.F
> mm_rho_forcedr.o:mm_rho_forcedr.f $(SRC)/system.h $(SRC)/ener.inc \
> $(DEST)/irat.inc $(SRC)/ropt.inc $(SRC)/mm_input.inc \
> $(SRC)/mm_dim.inc
>
> molorb.f: $(SRC)/molorb.F
> molorb.o: molorb.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/spin.inc \
> $(SRC)/empf.inc $(DEST)/irat.inc $(SRC)/cnst.inc \
> $(SRC)/adat.inc
>
> molstates.f: $(SRC)/molstates.F
> molstates.o: molstates.f $(SRC)/system.h $(SRC)/ddip.inc \
> $(SRC)/wann.inc $(SRC)/spin.inc $(SRC)/ions.inc \
> $(SRC)/mols.inc $(DEST)/irat.inc $(SRC)/poin.inc \
> $(SRC)/cnst.inc $(SRC)/linres.inc $(SRC)/mm_input.inc
>
> molsym.f: $(SRC)/molsym.F
> molsym.o: molsym.f
>
> moverho.f: $(SRC)/moverho.F
> moverho.o: moverho.f $(SRC)/system.h $(SRC)/spin.inc
> $(SRC)/gvec.inc \
> $(SRC)/coor.inc $(SRC)/ions.inc $(SRC)/atwf.inc \
> $(SRC)/cppt.inc $(SRC)/geq0.inc $(SRC)/qspl.inc \
> $(SRC)/sfac.inc $(SRC)/fft.inc $(SRC)/ropt.inc
>
> mtin.f: $(SRC)/mtin.F
> mtin.o: mtin.f $(SRC)/system.h $(SRC)/isos.inc $(SRC)/cppt.inc \
> $(SRC)/fft.inc $(SRC)/geq0.inc $(SRC)/cnst.inc
>
> mulliken.f: $(SRC)/mulliken.F
> mulliken.o: mulliken.f $(SRC)/system.h $(SRC)/atom.inc \
> $(SRC)/elct.inc $(SRC)/spin.inc $(SRC)/adat.inc \
> $(SRC)/ions.inc $(SRC)/pslo.inc $(SRC)/atwf.inc \
> $(SRC)/sfac.inc $(DEST)/irat.inc $(SRC)/prop.inc
>
> multtb.f: $(SRC)/multtb.F
> multtb.o: multtb.f
>
> my_para.f: $(SRC)/my_para.F
> my_para.o: my_para.f $(SRC)/pstat.inc $(SRC)/system.h \
> $(DEST)/irat.inc $(SRC)/benc.inc
>
> newcell.f: $(SRC)/newcell.F
> newcell.o: newcell.f $(SRC)/system.h $(SRC)/kpts.inc
>
> newd.f: $(SRC)/newd.F
> newd.o: newd.f $(SRC)/system.h $(SRC)/sfac.inc $(SRC)/ions.inc \
> $(SRC)/pslo.inc $(SRC)/nlps.inc $(SRC)/cppt.inc \
> $(SRC)/cnst.inc $(SRC)/geq0.inc
>
> nfunc.f: $(SRC)/nfunc.F
> nfunc.o: nfunc.f
>
> nlccset.f: $(SRC)/nlccset.F
> nlccset.o: nlccset.f $(SRC)/system.h $(SRC)/atom.inc
> $(SRC)/cnst.inc \
> $(SRC)/ions.inc $(SRC)/dpot.inc $(SRC)/nlcc.inc \
> $(SRC)/cppt.inc $(SRC)/gvec.inc $(SRC)/qspl.inc \
> $(SRC)/pslo.inc $(SRC)/vdbp.inc
>
> nlccstr.f: $(SRC)/nlccstr.F
> nlccstr.o: nlccstr.f $(SRC)/system.h $(SRC)/cnst.inc
> $(SRC)/cppt.inc \
> $(SRC)/strs.inc $(SRC)/sfac.inc $(SRC)/nlcc.inc \
> $(SRC)/spin.inc
>
> nlforce.f: $(SRC)/nlforce.F
> nlforce.o: nlforce.f $(SRC)/system.h $(SRC)/spin.inc
> $(SRC)/nlps.inc \
> $(SRC)/ions.inc $(SRC)/pslo.inc $(SRC)/cvan.inc \
> $(SRC)/sfac.inc $(SRC)/cppt.inc $(SRC)/sgpp.inc
>
> nl_res.f: $(SRC)/nl_res.F
> nl_res.o: nl_res.f $(SRC)/system.h $(SRC)/elct.inc $(SRC)/spin.inc \
> $(SRC)/nlps.inc $(SRC)/ions.inc $(SRC)/pslo.inc \
> $(SRC)/cvan.inc $(SRC)/sfac.inc $(SRC)/cppt.inc \
> $(SRC)/sgpp.inc $(SRC)/cnst.inc $(SRC)/geq0.inc
>
> nlsl.f: $(SRC)/nlsl.F
> nlsl.o: nlsl.f $(SRC)/system.h $(SRC)/ions.inc $(SRC)/cvan.inc \
> $(SRC)/nlps.inc $(SRC)/pslo.inc $(SRC)/sfac.inc \
> $(SRC)/strs.inc $(SRC)/str2.inc
>
> nlsm1_s.f: $(SRC)/nlsm1_s.F
> nlsm1_s.o: nlsm1_s.f $(SRC)/system.h $(SRC)/nlps.inc
> $(SRC)/ions.inc \
> $(SRC)/cppt.inc $(SRC)/sfac.inc $(SRC)/strs.inc \
> $(SRC)/str2.inc $(SRC)/geq0.inc $(SRC)/kpts.inc \
> $(SRC)/kpnt.inc
>
> nmr_chi_p.f: $(SRC)/nmr_chi_p.F
> nmr_chi_p.o: nmr_chi_p.f $(SRC)/system.h $(SRC)/cppt.inc \
> $(SRC)/fft.inc $(SRC)/response_p.inc
>
> nmr_current_p.f:$(SRC)/nmr_current_p.F
> nmr_current_p.o:nmr_current_p.f $(SRC)/system.h $(SRC)/cppt.inc \
> $(SRC)/coor.inc $(SRC)/cnst.inc $(SRC)/fft.inc \
> $(SRC)/ions.inc $(SRC)/geq0.inc $(SRC)/response_p.inc \
> $(SRC)/gvec.inc $(SRC)/prop.inc $(SRC)/elct.inc \
> $(SRC)/wann.inc
>
> nmr_full_p.f: $(SRC)/nmr_full_p.F
> nmr_full_p.o: nmr_full_p.f $(SRC)/system.h $(SRC)/response_p.inc \
> $(SRC)/soft.inc
>
> nmr_para_p.f: $(SRC)/nmr_para_p.F
> nmr_para_p.o: nmr_para_p.f $(SRC)/system.h $(DEST)/irat.inc \
> $(SRC)/filn.inc $(SRC)/response_p.inc
>
> nmr_p.f: $(SRC)/nmr_p.F
> nmr_p.o: nmr_p.f $(SRC)/system.h $(SRC)/response_p.inc \
> $(SRC)/prop.inc $(SRC)/cnst.inc $(SRC)/cppt.inc \
> $(SRC)/gvec.inc $(SRC)/ddip.inc $(SRC)/isos.inc \
> $(SRC)/wann.inc $(SRC)/coor.inc $(SRC)/store.inc \
> $(SRC)/soft.inc $(SRC)/ropt.inc $(SRC)/sfac.inc \
> $(SRC)/fft.inc $(SRC)/elct.inc
>
> nmr_position_p.f:$(SRC)/nmr_position_p.F
> nmr_position_p.o:nmr_position_p.f $(SRC)/system.h $(SRC)/gvec.inc \
> $(SRC)/response_p.inc $(SRC)/cppt.inc $(SRC)/cnst.inc \
> $(SRC)/fft.inc $(DEST)/irat.inc $(SRC)/geq0.inc \
> $(SRC)/coor.inc $(SRC)/ions.inc
>
> nmr_shift_p.f: $(SRC)/nmr_shift_p.F
> nmr_shift_p.o: nmr_shift_p.f $(SRC)/system.h $(SRC)/fft.inc \
> $(SRC)/response_p.inc $(SRC)/geq0.inc $(SRC)/cppt.inc \
> $(SRC)/ions.inc $(SRC)/coor.inc $(SRC)/cnst.inc \
> $(SRC)/adat.inc $(SRC)/prop.inc $(SRC)/gvec.inc
>
> nmr_util_p.f: $(SRC)/nmr_util_p.F
> nmr_util_p.o: nmr_util_p.f $(SRC)/system.h $(SRC)/coor.inc \
> $(SRC)/cppt.inc $(SRC)/gvec.inc $(SRC)/fft.inc \
> $(SRC)/cnst.inc $(SRC)/response_p.inc $(SRC)/ions.inc
>
> noforce.f: $(SRC)/noforce.F
> noforce.o: noforce.f $(SRC)/system.h $(SRC)/elct.inc
> $(SRC)/norm.inc \
> $(SRC)/pslo.inc $(SRC)/ropt.inc $(SRC)/cppt.inc \
> $(SRC)/nlps.inc $(SRC)/sfac.inc $(SRC)/ions.inc \
> $(SRC)/nort.inc $(SRC)/cvan.inc $(SRC)/spin.inc \
> $(SRC)/geq0.inc
>
> norhoe.f: $(SRC)/norhoe.F
> norhoe.o: norhoe.f $(SRC)/system.h $(SRC)/elct.inc $(SRC)/pslo.inc \
> $(SRC)/nlps.inc $(SRC)/sfac.inc $(SRC)/ions.inc \
> $(SRC)/nort.inc $(SRC)/spin.inc $(SRC)/geq0.inc
>
> nosalloc.f: $(SRC)/nosalloc.F
> nosalloc.o: nosalloc.f $(SRC)/system.h $(SRC)/ions.inc \
> $(SRC)/nose.inc $(SRC)/pimd.inc $(DEST)/irat.inc \
> $(SRC)/rmas.inc $(SRC)/mm_input.inc $(SRC)/mm_dim.inc \
> $(SRC)/fileopen.inc $(SRC)/bsym.inc
>
> noscinit.f: $(SRC)/noscinit.F
> noscinit.o: noscinit.f $(SRC)/system.h $(SRC)/nose.inc \
> $(SRC)/cnst.inc
>
> noseinit.f: $(SRC)/noseinit.F
> noseinit.o: noseinit.f $(SRC)/system.h $(SRC)/nose.inc
>
> noseng.f: $(SRC)/noseng.F
> noseng.o: noseng.f $(SRC)/system.h $(SRC)/nose.inc $(SRC)/ions.inc \
> $(SRC)/cnst.inc $(SRC)/rmas.inc $(SRC)/bsym.inc
>
> nosepa.f: $(SRC)/nosepa.F
> nosepa.o: nosepa.f $(SRC)/system.h $(SRC)/nose.inc $(SRC)/cnst.inc \
> $(SRC)/ions.inc $(SRC)/elct.inc $(SRC)/cotr.inc \
> $(SRC)/prcp.inc $(SRC)/isos.inc $(SRC)/pimd.inc \
> $(SRC)/mm_input.inc $(SRC)/mm_dim.inc $(DEST)/irat.inc
>
> noseup.f: $(SRC)/noseup.F
> noseup.o: noseup.f $(SRC)/system.h $(SRC)/nose.inc $(SRC)/metr.inc \
> $(SRC)/prcp.inc $(SRC)/rmas.inc $(SRC)/pimd.inc \
> $(SRC)/bsym.inc
>
> nospinit.f: $(SRC)/nospinit.F
> nospinit.o: nospinit.f $(SRC)/system.h $(SRC)/nose.inc \
> $(SRC)/ions.inc $(SRC)/cnst.inc $(SRC)/pimd.inc
>
> npt_md.f: $(SRC)/npt_md.F
> npt_md.o: npt_md.f $(SRC)/system.h $(SRC)/cnst.inc $(SRC)/ener.inc \
> $(SRC)/elct.inc $(SRC)/tpar.inc $(SRC)/pslo.inc \
> $(SRC)/ions.inc $(SRC)/soft.inc $(SRC)/nose.inc \
> $(SRC)/norm.inc $(SRC)/ropt.inc $(SRC)/cppt.inc \
> $(SRC)/coor.inc $(SRC)/geq0.inc $(SRC)/spin.inc \
> $(DEST)/irat.inc $(SRC)/nlcc.inc $(SRC)/strs.inc \
> $(SRC)/str2.inc $(SRC)/metr.inc $(SRC)/cotr.inc \
> $(SRC)/prcp.inc $(SRC)/store.inc $(SRC)/kpts.inc \
> $(SRC)/fileopen.inc
>
> numpw.f: $(SRC)/numpw.F
> numpw.o: numpw.f $(SRC)/system.h $(SRC)/gvec.inc $(SRC)/kpts.inc \
> $(SRC)/sphe.inc $(SRC)/cell.inc $(SRC)/cnst.inc \
> $(SRC)/nlps.inc $(SRC)/fint.inc
>
> odiis.f: $(SRC)/odiis.F
> odiis.o: odiis.f $(SRC)/system.h $(SRC)/ener.inc $(SRC)/elct.inc \
> $(SRC)/geq0.inc
>
> odiis_p.f: $(SRC)/odiis_p.F
> odiis_p.o: odiis_p.f $(SRC)/system.h $(SRC)/ener.inc
> $(SRC)/elct.inc \
> $(SRC)/geq0.inc $(SRC)/response_p.inc
>
> ohfd.f: $(SRC)/ohfd.F
> ohfd.o: ohfd.f $(SRC)/system.h $(SRC)/soft.inc $(SRC)/pslo.inc \
> $(SRC)/nlcc.inc $(SRC)/coor.inc $(SRC)/store.inc \
> $(SRC)/ropt.inc $(SRC)/andp.inc $(SRC)/elct.inc \
> $(SRC)/spin.inc $(SRC)/poin.inc $(DEST)/irat.inc \
> $(SRC)/fileopen.inc
>
> ohlr.f: $(SRC)/ohlr.F
> ohlr.o: ohlr.f $(SRC)/system.h $(SRC)/soft.inc $(SRC)/pslo.inc \
> $(SRC)/nlcc.inc $(SRC)/coor.inc $(SRC)/store.inc \
> $(SRC)/ropt.inc $(SRC)/elct.inc $(SRC)/spin.inc \
> $(SRC)/poin.inc $(DEST)/irat.inc $(SRC)/ener.inc \
> $(SRC)/norm.inc $(SRC)/cppt.inc $(SRC)/geq0.inc \
> $(SRC)/cnst.inc $(SRC)/isos.inc $(SRC)/tpar.inc \
> $(SRC)/linres.inc $(SRC)/fileopen.inc $(SRC)/atom.inc \
> $(SRC)/adat.inc $(SRC)/ions.inc $(SRC)/atwf.inc \
> $(SRC)/sfac.inc $(SRC)/fft.inc
>
> opeigr_c.f: $(SRC)/opeigr_c.F
> opeigr_c.o: opeigr_c.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/ddip.inc
>
> opeigr.f: $(SRC)/opeigr.F
> opeigr.o: opeigr.f $(SRC)/system.h $(SRC)/spin.inc $(SRC)/ddip.inc \
> $(SRC)/gvec.inc $(DEST)/irat.inc $(SRC)/kpts.inc \
> $(SRC)/sphe.inc
>
> opeigr_p.f: $(SRC)/opeigr_p.F
> opeigr_p.o: opeigr_p.f $(SRC)/system.h $(SRC)/spin.inc \
> $(SRC)/geq0.inc $(SRC)/ddip.inc
&