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lcmodel.inc
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lcmodel.inc
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C
CIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIIII
C
C Must have:
C MMETAB .GE. 2,
C MWFFTC=MAX0(4*MDATA+15,MBACKG**2),
C MCPY=MAX0(MDATA,MBACKG,4*MSIDES+2),
C MCHCOM=MIN0(56,MCOMPO*(MCHMET+1)),
C MCHLIN .GE. 1
C MDATA .GE. MSIDES
C
c Change to lcmodel-big.inc (for Roche):
c PARAMETER (MUNFIL=32768, MDATA=2*MUNFIL, MY=13000,
c 2 MMETAB=180,
c
c Change to LCModel 6.2-0B: MY=13000(4000); --> 59(22)MB; see Notes 071120
c Change to LCModel 6.2-0D: MY=20000; --> 84MB
c
c ' MY=' and ' MUNFIL=' must be unique, so that Makefile will work in
c reducing array sizes for SGI.
c
PARAMETER (MMETAB=100,
1 MUNFIL=65536,
1 MDATA=2*MUNFIL,
1 MY=12000,
2 mmeta1=mmetab-1, mmeta2=mmetab-2, MMETA3=MMETAB-3,
2 MMET13=MMETAB-13, MMET14=MMETAB-14,
2 mmetab_extra=5*mmetab,
2 mmet_ex2=mmetab_extra-2, mmet_ex3=mmetab_extra-3,
2 mmet_ex14=mmetab_extra-14, mmet_ex33=mmetab_extra-33,
2 MPMET=100, MPMET6=MPMET-6, MPMET16=MPMET-16,
2 MPME55=MPMET-55,
2 mmpowr=3, mcoeff_power=mmpowr*mmetab,
2 mgau=20, mmet_mgau=mmetab*mgau,
2 MBACKG=100, MSIDES=20, MINCSD=20, MSHIFT=25,
3 MWFFTC=4*MDATA+15, MCPY=MDATA,
4 MREFPK=10, MREFP1=MREFPK-1, MREFP4=MREFPK-4,
4 MREFP6=MREFPK-6,
5 MNONL=2*(MMETAB+MSIDES+1),
6 MREGF=2*MSIDES+3,
7 MPAR=(mmpowr+2)*MMETAB+MBACKG+2*MSIDES+3,
7 mgroup_shift=40,
8 MROW=MY+(mmpowr+mgroup_shift+3)*MMETAB+MNONL+MBACKG+MREGF+3,
9 MCOMPO=50, MCONC=MMETAB+MPMET,
B MCHFIL=255, MCHFMT=80, MCHID=20, MCHMET=6,
C MCHCOM=350, MKEY=64, MDEV=32,
D MCHLIN=74, MLINES=500,
E MSTAGE=3, MMERMS=9000, MMERM9=MMERMS+9, mvoxel=65536,
f mmet_ratio=30, mchratio=1+(mchmet+1)*mmet_ratio,
g mchsimul=528, mvoxsk=64, mgap=10, mmdegp3=51,
h mchgam=16, mdwork_finout=2*msides+4+mnonl)
CHARACTER CHANGE(MLINES, 2)*(MCHLIN), chbcal*(mchmet),
1 chcali(mmetab)*(mchmet), chcol*9,
1 CHCOMB(MPMET)*(MCHCOM), CHCOM2(MPMET)*(MCHCOM),
1 CHDATE*33, CHERR(MMERM9)*6, CHEXT2(MMETAB)*(MCHMET),
1 chgam*(mchgam), chgrsh(mgroup_shift)*(mchmet),
1 CHKEEP(MMETAB_EXTRA)*(MCHMET), chless(mmetab)*6,
1 chline*132, chlsha(MMETAB)*(MCHMET), chmore*6,
1 chnols(MMETAB_EXTRA)*(MCHMET),
1 chnot1(mmetab_extra)*(mchmet),
1 chnot2(mmetab_extra)*(mchmet),
1 CHOMIT(MPMET)*(MCHMET), CHPMET(MPMET)*(MCHMET),
1 chrati(mmetab)*(mchratio), chrato(mmetab)*(264),
1 chratw(mmetab)*(mchratio), chrow*9,
1 CHSDSH(MMETAB)*(MCHMET),
1 CHSDT2(MMETAB)*(MCHMET), chsim(mmetab)*(mchmet),
1 chsimu(mmetab)*(mchsimul), chslic*9, CHSUBP*6,
1 CHUSE1(MMETAB_EXTRA)*(MCHMET), ERRORS(MMERM9)*(MCHLIN),
1 ETCOUT(MLINES)*(MCHLIN), FILBAS*(MCHFIL),
1 FILCOO*(MCHFIL), FILCOr*(MCHFIL),
1 filcsi_sav_1*(mchfil), filcsi_sav_2*(mchfil),
1 FILcsv*(MCHFIL), FILH2O*(MCHFIL),
1 FILPRI*(MCHFIL), FILPS*(MCHFIL), FILRAW*(MCHFIL),
1 FILTAB*(MCHFIL),
1 NACOMB(MCONC)*(MCHCOM), NACOM2(MCONC)*(MCHCOM),
1 NAMEAC(MMETAB)*(mchmet),
1 NAMREL*(MCHCOM), norato(mmetab)*(mchmet),
1 OWNER*120, OWNOUT*129, PGNORM*2,
1 savdir*(mchfil), SEQ_raw*5, sptype*16, srch2o*(mchfil),
1 srcraw*(mchfil), SYNUS1(2,MPMET)*(MCHMET),
1 TABLE(MCONC+1, 2)*(MCHLIN), TITLE*244,
1 title_line(2)*122, VERSIO*120, version_lcm*16,
1 wsmet*(mchmet)
COMMON /BLCHAR/ CHANGE, chbcal, chcali, chcol,
1 CHCOMB, chcom2,
1 CHDATE, CHERR, CHEXT2, chgam,
1 chgrsh, CHKEEP, chless, chline,
1 chlsha, chmore, chnols, chnot1, chnot2,
1 CHOMIT, CHPMET, chrati, chrato,
1 chratw, chrow, CHSDSH, CHSDT2,
1 chsim, chsimu, chslic, CHUSE1, ERRORS,
1 ETCOUT, FILBAS, FILCOO, filcor,
1 filcsi_sav_1, filcsi_sav_2,
1 filcsv, FILH2O, FILPRI,
1 FILPS, FILRAW, FILTAB,
1 NACOMB, nacom2, NAMEAC, NAMREL, norato,
1 OWNER, OWNOUT, PGNORM,
1 savdir, SEQ_raw, sptype, srch2o, srcraw,
1 SYNUS1, TABLE, TITLE, title_line, VERSIO,
1 version_lcm, wsmet
COMPLEX BASIST(MDATA,MMETAB), CTERM(3), CY(MY),
1 cy_sav(my, mmdegp3+7), DATAF(MDATA),
1 DATAT(mdata), datat_work(munfil),
1 H2OF(MDATA), h2of_work(mdata),
1 H2OT(MDATA), H2OT_work(MDATA)
COMMON /BLCPLX/ BASIST, CTERM, CY, cy_sav, DATAF, DATAT,
1 datat_work, H2OF, h2of_work,
1 H2OT
DOUBLE PRECISION ALPBBS(mmdegp3+7),
2 ALPBMN, ALPBMX, ALPHAB, ALPHAS,
2 ALPSBS(mmdegp3+7),
2 ALPSMN, ALPSMX, coeff_power_sd(mmpowr, mmetab),
2 DAMAT(MROW,MPAR),
2 DGAUSS(0:2*MSIDES+4),
2 DPARMQ(MNONL), DPY(4*MSIDES+10), DRANGE, DSSQ,
2 DTERM(3), DWFFTC(mwfftc), GRAD(MNONL),
2 OBJECT, OBJLIN,
2 PARBES(MNONL,mmdegp3+7), PARNLN(MNONL),
2 PAROLD(MNONL), PENBES(mmdegp3+7),
2 PMQBES(mmdegp3+7), PMQSAV, power(mmpowr),
2 PRECIS, REGF(MREGF,2*MSIDES),
2 SDBEST(mmdegp3+7), SDREF,
2 SOLBES(MPAR,mmdegp3+7), SOLUTN(MPAR), STDDEV,
2 tpower(mmpowr, mdata)
COMMON /BLDP/ ALPBBS, ALPBMN, ALPBMX, ALPHAB, ALPHAS, ALPSBS,
2 ALPSMN, ALPSMX, coeff_power_sd,
2 DAMAT, DGAUSS, DPARMQ, DPY,
2 DRANGE, DSSQ, DTERM, DWFFTC, GRAD, OBJECT,
2 OBJLIN, PARBES, PARNLN, PAROLD, PENBES, PMQBES,
2 PMQSAV, power, PRECIS, REGF, SDBEST, SDREF, SOLBES,
2 SOLUTN, STDDEV, tpower
COMMON /BLINT/ iareaw, iauto, iaverg,
3 icolen, icolsk(mvoxsk),
3 icolst, iconc_line_table(mconc),
3 idcol, idgppm, idrow, idslic,
3 IDUMP(MSTAGE), IERRNO(MMERM9), IETCOU, IKNTMN,
3 imethd, INCSID, INCSMX, INDCOL(MPAR),
3 ioffset_current_in, IPAGE2,
3 IPCERR(MCONC+1), ipdump, ipowph, ipowrg, irowen,
3 irowsk(mvoxsk), irowst,
3 ISDBOL, ISHIFD, ISHIFW, islice,
3 ISTAGO, iter_dump, KEY(MKEY), KNUM(3), LBASIS,
3 LCOMPO(MCOMPO,MCONC), LCONTR,
3 lcontr_scratch, LCOORD,
3 lcoraw, lcsi_sav_1, lcsi_sav_2, lcsv, LDATEN,
3 LDATST, LDEV1(MDEV), LDWFFT, LETT, LEVERR(MMERM9),
3 LH2O, LINCHG(2), LINERR, linerr_mycont,
3 LINETC, LINTBL,
3 lmetab_prior(mmetab),
3 lmetab_shift_prior(mmetab*mgroup_shift), LPHAST,
3 lpowen(0:mmetab),
3 LPRINT, LPS, LRAW, LRT2ST, LSHIST,
3 LTABLE, LWFFT,
3 MDALPB, mdegp3, MERMES, MFNDAL, MINTER(3),
3 MITER(3), mnsamp, mpower,
3 MREPHA(2), nback(2),
3 NBACKG, nbas_ccf, nbckmn, ncalib, nchgam,
3 nchles, nchlin(2), NCOMBI,
3 NCOMPO(MCONC), NCONC, NDATA, ndcols,
3 ndegppm3_used, NDEGZ(2), NDF,
3 NDFREF, NDGPPM(2), ndrows, ndslic,
3 NEACH, nermes, NERROR(MMERM9), NEXPON,
3 NEXTR(2), NEXT2, ngap, ngau(mmetab), ngrsh,
3 n1hmet, NINFL(2), NKEEP, NLIN,
3 nlines_title, nlshap,
3 NMETAB, nnolsh, NNONL, nnorat,
3 nnot1, nnot2, NOMIT, NPAR, npower(mmetab),
3 nratio, nratio_used, NREFPK(2), NREGF,
3 NRF2MN, NROWDA, nrow_group_shift,
3 NSDSH, NSDT2, NSHIFT, NSIDES,
3 NSIDE2, NSIDMN, NSIDMX,
3 nsimul, NSUBTK, ntable_top, ntitle, NUNFIL, NUSE1,
3 nvoxsk, nwsend, nwsst, NY, nyuse
LOGICAL absval, accept_alpbmn, accept_step2,
4 areaba_orig_basisf, asymlp, badref, bascal, basout,
4 biglip, CCNTRL, chksim,
4 conc3f, DOECC, doecc_active,
4 DOFULL, DOREFS(2), dowatr, dows,
4 DOZERO(3), eccdon, endpha, fixshf, forecc,
4 fwhmba_in_control, FXDEGP, FXDEGZ,
4 gauss_rt2, gshgua,
4 havh2o, INISOL, initialize_solve, is_alpbmn, LANDSC,
4 lcy_skip(my), ldump(10), LLINE,
4 lraw_at_top, lshape(mmetab),
4 nobase, nobasi, NOLIne,
4 NONNEG(MPAR), omit_chless, onlyco,
4 PLPRFT, ratio_outlier(mconc+1),
4 QUICK, reflac, roomt, scafwh,
4 scasim, sidump(mmetab), single_voxel,
4 sitayl(mmetab), skip_step3, skip_voxel, smtail, solgrd,
4 SUBBAS, table_top(mconc), unsupr, usemxb, useany, useglc,
4 USINFL, VITRO, voxel1, wsdone, year4d, zero_voxel(mvoxel)
COMMON /BLLOG/ absval, accept_alpbmn, accept_step2,
4 areaba_orig_basisf, asymlp, badref,
4 bascal, basout, biglip, CCNTRL,
4 chksim, conc3f,
4 DOECC, doecc_active, DOFULL, DOREFS, dowatr, dows,
4 DOZERO, eccdon, endpha, fixshf, forecc,
4 fwhmba_in_control, FXDEGP, FXDEGZ,
4 gauss_rt2, gshgua, havh2o,
4 INISOL, initialize_solve, is_alpbmn, LANDSC,
4 lcy_skip, ldump, LLINE,
4 lraw_at_top, lshape, nobase, nobasi,
4 NOLIne, NONNEG, omit_chless, onlyco,
4 PLPRFT, ratio_outlier,
4 QUICK, reflac, roomt, scafwh,
4 scasim, sidump, single_voxel,
4 sitayl, skip_step3, skip_voxel, smtail, solgrd,
4 SUBBAS, table_top, unsupr, usemxb, useany, useglc,
4 USINFL, VITRO, voxel1, wsdone, year4d, zero_voxel
COMMON /BLREAL/ ALEXT2(MMETAB), ALOG2, ALPBPN,
5 alpb_degp(0:mmdegp3), ALPBST,
5 alphab_dump, alphas_dump, ALPSST,
5 ALSDSH(MMETAB), ALSDT2(MMETAB), area_met_norm, atth2o, attmet,
5 BACKGR(MY,MBACKG), BACKRE(MY), black(3), bwtolr,
5 cgroup_shift(mmetab*mgroup_shift, mmetab),
5 CONCEN(MCONC), conc_expect(mmetab), CONREL, COSMIN(3),
5 cprior(mmetab,mmetab), CPY(MCPY), daimbs, ddegp3, DDGPMQ(2),
5 DDGZMQ(2), DEEXT2, DEGMAX(2),
5 degp_degp(0:mmdegp3), DEGPPM, DEGZER, DELPPM(MY),
5 DELTAT, DESDSH, DESDT2, DFLDMQ, DGPPMN, dgppmn_orig,
5 DGPPMX, dgppmx_orig,
5 dist_degp(0:mmdegp3), dkngam, DKNTMN(2),
5 dkntmn_standard, DSHPAT(2,2), echot, ECHOT_raw,
5 EXDEGP, EXDEGZ,
5 exrati(mmetab),
5 EXRT2(MMETAB), fcalib, fconc_expect, fcsum,
5 FH2OMX, fmain_power, FNDATA,
5 fother_power, fract_power_sd(mmpowr, mmetab),
5 frepha, FSTPMQ, FWHH2O, FWHMBA, fwhmmn, fwhmmx,
5 fwhmsm,
5 FWHMST, fwhmst_full, hifmm, hwdwat(2), hzpgam(2),
5 HZPPPM, hzpppm_raw, HZREF(MREFPK,2), PAGEHT, PAGEWD,
5 phi_plot(2),
5 PHITOT(2), phitot_sav(mmdegp3+7, 2),
5 PI, PMQST(3), PMQSTL(3), PNALPB, PPM(MY),
5 ppmbas(2), PPMCEN, PPMEND,
5 ppmend_phalip, ppmgap(2, mgap), ppmh2o,
5 PPMINC, PPMMET(4,MPMET),
5 PPMPOS(2), PPMREF(MREFPK,2), ppmsep(mgap), PPMSHF, ppmsig(2),
5 ppmst, ppmst_phalip, ppm_truncate_max, ppm_truncate_min,
5 ppm_water_range, ppm_water_tol,
5 PRMNMX(2,3), PTLABL, PTOUTP, PTTITL, PTVERS,
5 RADIAN, RALIMN, RALINC, r_areaba, ratipm, RBACKG(2),
5 rbasmx(2), RCONVR(3), RDALPB,
5 REGB(MBACKG,MBACKG), rfwbas,
5 RFWHCC, RFWHM, rfwhmst_ccf, RFWHST, RGBBOL(3), rgberr(3),
5 RGBLIN(3,6), rgbrat(3),
5 RHLABL, RHOUTP, RHTITL, RHVERS, RINCRS(3), rincsh, rlesmo,
5 rlrntz, RMQDEC(3), RMQINC(2,3), RMSAMP,
5 RPENMX, RPMQMN(3), rpowmq, RRANGE,
5 RRT2MQ, rsdgp3, rsdsam(3), rsdsmq,
5 RSHFMQ, RSTPMN(3), RSTPMX(3), rt2min(mmetab), RWFONT,
5 rwork(mdata), rwork2(mdata), sddegp, sddegp_input, sddegz,
5 sdgroup_shift_row(mmetab*mgroup_shift),
5 sdgrsh(mgroup_shift), SDMSHF, sdrati(mmetab),
5 SDRT2(MMETAB), SDSHIF(MMETAB), sdshmn, sdshmx,
5 SDSMOO(4), SHIFMN(2), shifmn_orig(2),
5 SHIFMX(2), shifmx_orig(2), siamp(mgau,mmetab), sifwex(mmetab),
5 sifwmn(mgau,mmetab), sifwsd(mmetab), sippm(mgau,mmetab),
5 sisdsh(mmetab), sqrtwt_ratio_used(mmetab), SSQAIM,
5 SSQBES(mmdegp3+7), ssqbes_degp,
5 ssq_degp(0:mmdegp3), SSQMAX, SSQMIN, SSQREF, temm, THRLIN,
5 TOFWHM, WDLINE(6), XLEFT, XRIGHT, XSTEP, wconc, WFFTC(MWFFTC),
5 wsppm, XTRPMX, YFITRE(MY,0:MMETAB), YBOTT, YREAL(MY), YTOP
C -------------------------------------------------------------------------
C The variables specified above are global (except for CHSUBP).
C -------------------------------------------------------------------------