[CPMD-list] CPMD parallel scalability
Maurice de Koning
dekoning at ifi.unicamp.br
Mon Apr 14 20:54:25 CET 2008
Hi,
And here is the outputfile obtained using 32 CPU´s. Also, I´m using the
machine
by myself, so no competing users.
Cheers,
Maurice
Maurice de Koning wrote:
> 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)