*DECK ACRDRV SUBROUTINE ACRDRV(IPAPX,LCUBIC,NMIX,IMPX,NMIL,NCAL,MD2,NPAR, 1 ITER,MAXNIS,MIXC,TERP,NISO,LISO,HISO,CONC,ITODO,LFROM) * *----------------------------------------------------------------------- * *Purpose: * Compute TERP factors for Apex file interpolation. Use user-defined * global parameters. * *Copyright: * Copyright (C) 2021 Ecole Polytechnique de Montreal * *Author(s): * A. Hebert * *Parameters: input * IPAPX address of the Apex file. * LCUBIC =.TRUE.: cubic Ceschino interpolation; =.FALSE: linear * Lagrange interpolation. * NMIX maximum number of material mixtures in the microlib. * IMPX print parameter (equal to zero for no print). * NMIL number of material mixtures in the Apex file. * NCAL number of elementary calculations in the Apex file. * MD2 number of particularized and macro isotopes in the Apex file. * NPAR number of parameters * *Parameters: output * ITER completion flag (=0: all over; =1: use another Apex file; * =2 use another L_MAP + Apex file). * MAXNIS maximum value of NISO(I) in user data. * MIXC mixture index in the Apex file corresponding to each microlib * mixture. * TERP interpolation factors. * NISO number of user-selected isotopes. * LISO type of treatment (=.true.: ALL; =.false.: ONLY). * HISO name of the user-selected isotopes. * CONC user-defined number density of the user-selected isotopes. A * value of -99.99 is set to indicate that the compo value is * used. * ITODO non-depletion mask (=1 to force a user-selected isotope to be * non-depleting) * LFROM macroregion flag (=.true. if 'xs n' groups are set). * *----------------------------------------------------------------------- * USE GANLIB USE hdf5_wrap IMPLICIT NONE *---- * SUBROUTINE ARGUMENTS *---- TYPE(C_PTR) IPAPX INTEGER NMIX,IMPX,NMIL,NCAL,MD2,NPAR,ITER,MAXNIS,MIXC(NMIX), 1 NISO(NMIX),ITODO(NMIX,MD2) REAL TERP(NCAL,NMIX),CONC(NMIX,MD2) LOGICAL LCUBIC,LISO(NMIX),LFROM CHARACTER(LEN=8) HISO(NMIX,MD2) *---- * LOCAL VARIABLES *---- INTEGER, PARAMETER::IOUT=6 INTEGER, PARAMETER::MAXLIN=132 INTEGER, PARAMETER::MAXPAR=50 INTEGER, PARAMETER::MAXVAL=200 REAL, PARAMETER::REPS=1.0E-4 INTEGER I, J, IBM, IBMOLD, ICAL, INDIC, IPAR, ITYPE, JBM, NITMA REAL SUM, FLOTT CHARACTER TEXT24*24,TEXT72*72,HSMG*131,TEXT132*132, 1 VALH(MAXPAR)*12,RECNAM*80,HCUBIC*12 INTEGER VALI(MAXPAR),MUPLET(2*MAXPAR),MUTYPE(2*MAXPAR) INTEGER RANK,TYPE,NBYTE,DIMSR(5) DOUBLE PRECISION DFLOTT REAL VALR(2*MAXPAR,2) LOGICAL LCUB2(MAXPAR) *---- * ALLOCATABLE ARRAYS *---- LOGICAL, ALLOCATABLE, DIMENSION(:) :: LDELTA INTEGER, ALLOCATABLE, DIMENSION(:) :: NVALUE,VINTE REAL, ALLOCATABLE, DIMENSION(:) :: VREAL CHARACTER(LEN=8), ALLOCATABLE, DIMENSION(:) :: PARFMT CHARACTER(LEN=12), ALLOCATABLE, DIMENSION(:) :: VCHAR CHARACTER(LEN=24), ALLOCATABLE, DIMENSION(:) :: PARKEY CHARACTER(LEN=132), ALLOCATABLE, DIMENSION(:) :: TEXT132V1 *---- * SCRATCH STORAGE ALLOCATION *---- ALLOCATE(LDELTA(NMIX)) *---- * RECOVER INFORMATION FOR THE APEX FILE. *---- CALL hdf5_info(IPAPX,"/Calculation_Content",RANK,TYPE,NBYTE,DIMSR) IF(RANK.GT.MAXLIN) CALL XABORT('ACRDRV: MAXLIN OVERFLOW.') IF(NPAR.GT.MAXPAR) CALL XABORT('ACRDRV: MAXPAR OVERFLOW.') IF((RANK.EQ.1).AND.(DIMSR(1).EQ.1)) THEN CALL hdf5_read_data(IPAPX,"/Calculation_Content",TEXT132) IF(IMPX.GT.0) WRITE(IOUT,'(1X,A)') TEXT132 ELSE IF(RANK.EQ.1) THEN CALL hdf5_read_data(IPAPX,"/Calculation_Content",TEXT132V1) IF(IMPX.GT.0) THEN DO I=1,DIMSR(1) WRITE(IOUT,'(1X,A)') TEXT132V1(I) ENDDO ENDIF DEALLOCATE(TEXT132V1) ENDIF IF(NPAR.GT.0) THEN CALL hdf5_read_data(IPAPX,"/paramdescrip/PARNAM",PARKEY) CALL hdf5_read_data(IPAPX,"/paramdescrip/PARFMT",PARFMT) ENDIF TERP(:NCAL,:NMIX)=0.0 MIXC(:NMIX)=0 IF(IMPX.GT.1) THEN WRITE(IOUT,*) 'NPAR=',NPAR,SIZE(PARKEY,1) DO I=1,NPAR WRITE(IOUT,*)'PARKEY(',I,')=',PARKEY(I),' PARFMT=',PARFMT(I) ENDDO ENDIF *---- * READ (INTERP_DATA) AND SET VALI, VALR AND VALH PARAMETERS * CORRESPONDING TO THE INTERPOLATION POINT. FILL MUPLET FOR * PARAMETERS SET WITHOUT INTERPOLATION. *---- IBM=0 MAXNIS=0 NISO(:NMIX)=0 LISO(:NMIX)=.TRUE. LDELTA(:NMIX)=.FALSE. ITODO(:NMIX,:MD2)=0 LFROM=.FALSE. 10 CALL REDGET(INDIC,NITMA,FLOTT,TEXT72,DFLOTT) IF(INDIC.NE.3) CALL XABORT('ACRDRV: CHARACTER DATA EXPECTED.') 20 IF(TEXT72.EQ.'MIX') THEN MUPLET(:NPAR)=0 MUTYPE(:NPAR)=0 VALI(:NPAR)=0 VALR(:NPAR,1)=0.0 VALR(:NPAR,2)=0.0 DO 30 I=1,NPAR VALH(I)=' ' 30 CONTINUE LCUB2(:NPAR)=LCUBIC CALL REDGET(INDIC,IBM,FLOTT,TEXT72,DFLOTT) IF(INDIC.NE.1) CALL XABORT('ACRDRV: INTEGER DATA EXPECTED.') IF(IBM.GT.NMIX) THEN WRITE(HSMG,'(27HACRDRV: NMIX OVERFLOW (IBM=,I8,6H NMIX=,I8, 1 2H).)') IBM,NMIX CALL XABORT(HSMG) ENDIF IBMOLD=1 CALL REDGET(INDIC,NITMA,FLOTT,TEXT72,DFLOTT) IF(INDIC.NE.3) CALL XABORT('ACRDRV: CHARACTER DATA EXPECTED.') IF(TEXT72.EQ.'FROM') THEN CALL REDGET(INDIC,IBMOLD,FLOTT,TEXT72,DFLOTT) IF(INDIC.NE.1) CALL XABORT('ACRDRV: INTEGER DATA EXPECTED.') IF(IBMOLD.GT.NMIL) CALL XABORT('ACRDRV: APEX MIX OVERFLOW' 1 //'(1).') MIXC(IBM)=IBMOLD LFROM=.TRUE. GO TO 10 ELSE IF(TEXT72.EQ.'USE') THEN IF(IBM.GT.NMIL) CALL XABORT('SCRDRV: APEX MIX OVERFLOW(2).') MIXC(IBM)=IBM LFROM=.TRUE. GO TO 10 ENDIF MIXC(IBM)=IBMOLD GO TO 20 ELSE IF(TEXT72.EQ.'MICRO') THEN IF(IBM.EQ.0) CALL XABORT('ACRDRV: MIX NOT SET (1).') CALL REDGET(INDIC,NITMA,FLOTT,TEXT72,DFLOTT) IF(INDIC.NE.3) CALL XABORT('ACRDRV: CHARACTER DATA EXPECTED.') IF(TEXT72.EQ.'ALL') THEN LISO(IBM)=.TRUE. ELSE IF(TEXT72.EQ.'ONLY') THEN LISO(IBM)=.FALSE. ENDIF CALL REDGET(INDIC,NITMA,FLOTT,TEXT72,DFLOTT) IF(INDIC.NE.3) CALL XABORT('ACRDRV: CHARACTER DATA EXPECTED.') 40 IF(TEXT72.EQ.'ENDMIX') THEN GO TO 20 ELSE IF(TEXT72.EQ.'NOEV') THEN IF(NISO(IBM).EQ.0) CALL XABORT('ACRDRV: MISPLACED NOEV.') ITODO(IBM,NISO(IBM))=1 ELSE NISO(IBM)=NISO(IBM)+1 IF(NISO(IBM).GT.MD2) CALL XABORT('ACRDRV: MD2 OVERFLOW.') MAXNIS=MAX(MAXNIS,NISO(IBM)) HISO(IBM,NISO(IBM))=TEXT72(:8) CALL REDGET(INDIC,NITMA,FLOTT,TEXT72,DFLOTT) IF(INDIC.EQ.2) THEN CONC(IBM,NISO(IBM))=FLOTT ELSE IF((INDIC.EQ.3).AND.(TEXT72.EQ.'*')) THEN CONC(IBM,NISO(IBM))=-99.99 ELSE CALL XABORT('ACRDRV: INVALID HISO DATA.') ENDIF ENDIF CALL REDGET(INDIC,NITMA,FLOTT,TEXT72,DFLOTT) IF(INDIC.NE.3) CALL XABORT('ACRDRV: CHARACTER DATA EXPECTED.') GO TO 40 ELSE IF((TEXT72.EQ.'SET').OR.(TEXT72.EQ.'DELTA')) THEN IF(IBM.EQ.0) CALL XABORT('ACRDRV: MIX NOT SET (2).') ITYPE=0 IF(TEXT72.EQ.'SET') THEN ITYPE=1 ELSE IF(TEXT72.EQ.'DELTA') THEN ITYPE=2 LDELTA(IBM)=.TRUE. ENDIF CALL REDGET(INDIC,NITMA,FLOTT,TEXT24,DFLOTT) IF(INDIC.NE.3) CALL XABORT('ACRDRV: CHARACTER DATA EXPECTED.') IF((TEXT72.EQ.'LINEAR').OR.(TEXT72.EQ.'CUBIC')) THEN HCUBIC=TEXT24(:12) CALL REDGET(INDIC,NITMA,FLOTT,TEXT24,DFLOTT) ELSE HCUBIC=' ' ENDIF IF(INDIC.NE.3) CALL XABORT('ACRDRV: CHARACTER DATA EXPECTED.') DO 50 I=1,NPAR IF(TEXT24.EQ.PARKEY(I)) THEN IPAR=I GO TO 60 ENDIF 50 CONTINUE CALL XABORT('ACRDRV: PARAMETER '//TRIM(TEXT24)//' NOT FOUND.') 60 IF(HCUBIC.EQ.'LINEAR') THEN LCUB2(IPAR)=.FALSE. ELSE IF(HCUBIC.EQ.'CUBIC') THEN LCUB2(IPAR)=.TRUE. ENDIF CALL hdf5_read_data(IPAPX,"/paramdescrip/NVALUE",NVALUE) IF(NVALUE(IPAR).GT.MAXVAL) CALL XABORT('ACRDRV: MAXVAL OVERFL' 1 //'OW.') WRITE(RECNAM,'(''/paramvalues/PVAL'',I8)') IPAR CALL hdf5_info(IPAPX,RECNAM,RANK,TYPE,NBYTE,DIMSR) IF(TYPE.EQ.99) THEN CALL hdf5_list(IPAPX,RECNAM) FLUSH(6) WRITE(HSMG,'(25HACRDRV: GLOBAL PARAMETER ,A,9H NOT SET.)') 1 TRIM(PARKEY(IPAR)) CALL XABORT(HSMG) ENDIF IF(PARFMT(IPAR).EQ.'ENTIER') THEN IF(ITYPE.NE.1) CALL XABORT('ACRDRV: SET MANDATORY WITH INT' 1 //'EGER PARAMETERS.') CALL REDGET(INDIC,VALI(IPAR),FLOTT,TEXT72,DFLOTT) IF(INDIC.NE.1) CALL XABORT('ACRDRV: INTEGER DATA EXPECTED.') CALL hdf5_read_data(IPAPX,RECNAM,VINTE) DO 70 J=1,NVALUE(IPAR) IF(VALI(IPAR).EQ.VINTE(J)) THEN MUPLET(IPAR)=J MUTYPE(IPAR)=ITYPE DEALLOCATE(NVALUE,VINTE) GO TO 10 ENDIF 70 CONTINUE WRITE(HSMG,'(26HACRDRV: INTEGER PARAMETER ,A,9H WITH VAL, 1 2HUE,I5,33H NOT FOUND IN APEX FILE DATABASE.)') 2 TRIM(PARKEY(IPAR)),VALI(IPAR) CALL XABORT(HSMG) ELSE IF(PARFMT(IPAR).EQ.'FLOTTANT') THEN CALL REDGET(INDIC,NITMA,VALR(IPAR,1),TEXT72,DFLOTT) IF(INDIC.NE.2) CALL XABORT('ACRDRV: REAL DATA EXPECTED.') VALR(IPAR,2)=VALR(IPAR,1) CALL REDGET(INDIC,NITMA,FLOTT,TEXT72,DFLOTT) IF(INDIC.EQ.2) THEN VALR(IPAR,2)=FLOTT CALL REDGET(INDIC,NITMA,FLOTT,TEXT72,DFLOTT) ENDIF CALL hdf5_read_data(IPAPX,RECNAM,VREAL) IF(VALR(IPAR,1).EQ.VALR(IPAR,2)) THEN DO 80 J=1,NVALUE(IPAR) IF(ABS(VALR(IPAR,1)-VREAL(J)).LE.REPS*ABS(VREAL(J))) THEN MUPLET(IPAR)=J IF(ITYPE.NE.1) MUPLET(IPAR)=-1 MUTYPE(IPAR)=ITYPE DEALLOCATE(NVALUE,VREAL) GO TO 20 ENDIF 80 CONTINUE ENDIF IF(VALR(IPAR,1).LT.VREAL(1)) THEN WRITE(HSMG,'(23HACRDRV: REAL PARAMETER ,A,10H WITH VALU, 1 1HE,1P,E12.4,25H IS OUTSIDE THE DOMAIN (<,E12.4,1H))') 2 TRIM(PARKEY(IPAR)),VALR(IPAR,1),VREAL(1) CALL XABORT(HSMG) ELSE IF(VALR(IPAR,2).GT.VREAL(NVALUE(IPAR))) THEN WRITE(HSMG,'(23HACRDRV: REAL PARAMETER ,A,10H WITH VALU, 1 1HE,1P,E12.4,25H IS OUTSIDE THE DOMAIN (>,E12.4,1H))') 2 TRIM(PARKEY(IPAR)),VALR(IPAR,1),VREAL(NVALUE(IPAR)) CALL XABORT(HSMG) ELSE IF(VALR(IPAR,1).GT.VALR(IPAR,2)) THEN WRITE(HSMG,'(23HACRDRV: REAL PARAMETER ,A,9H IS DEFIN, 1 7HED WITH,1P,E12.4,2H >,E12.4,1H.)') TRIM(PARKEY(IPAR)), 2 VALR(IPAR,1),VALR(IPAR,2) CALL XABORT(HSMG) ENDIF MUPLET(IPAR)=-1 MUTYPE(IPAR)=ITYPE DEALLOCATE(NVALUE,VREAL) GO TO 20 ELSE IF(PARFMT(IPAR).EQ.'CHAINE') THEN IF(ITYPE.NE.1) CALL XABORT('ACRDRV: SET MANDATORY WITH STR' 1 //'ING PARAMETERS.') CALL REDGET(INDIC,NITMA,FLOTT,VALH(IPAR),DFLOTT) IF(INDIC.NE.3) CALL XABORT('ACRDRV: STRING DATA EXPECTED.') CALL hdf5_read_data(IPAPX,RECNAM,VCHAR) DO 90 J=1,NVALUE(IPAR) IF(VALH(IPAR).EQ.VCHAR(J)) THEN MUPLET(IPAR)=J MUTYPE(IPAR)=ITYPE DEALLOCATE(NVALUE,VCHAR) GO TO 10 ENDIF 90 CONTINUE WRITE(HSMG,'(25HACRDRV: STRING PARAMETER ,A,10H WITH VALU, 1 2HE ,A12,33H NOT FOUND IN APEX FILE DATABASE.)') 2 TRIM(PARKEY(IPAR)), VALH(IPAR) CALL XABORT(HSMG) ELSE CALL XABORT('ACRDRV: INVALID FORMAT='//PARFMT(IPAR)) ENDIF ELSE IF(TEXT72.EQ.'ENDMIX') THEN *---- * COMPUTE THE TERP FACTORS USING TABLE-OF-CONTENT INFORMATION. *---- IF(IMPX.GT.0) THEN DO IPAR=1,NPAR IF(PARFMT(IPAR).EQ.'FLOTTANT')THEN IF(LCUB2(IPAR)) THEN WRITE(IOUT,'(26H ACRDRV: GLOBAL PARAMETER:,A,7H ->CUBI, 1 16HC INTERPOLATION.)') TRIM(PARKEY(IPAR)) ELSE WRITE(IOUT,'(26H ACRDRV: GLOBAL PARAMETER:,A,7H ->LINE, 1 17HAR INTERPOLATION.)') TRIM(PARKEY(IPAR)) ENDIF ENDIF ENDDO ENDIF IF(IBMOLD.GT.NMIL)CALL XABORT('ACRDRV: APEX MIX OVERFLOW(3).') IF(IBM.GT.NMIX)CALL XABORT('ACRDRV: MIX OVERFLOW (MICROLIB).') IF(NCAL.EQ.1) THEN TERP(1,IBM)=1.0 ELSE CALL ACRTRP(IPAPX,LCUB2,IMPX,NPAR,NCAL,MUPLET,MUTYPE,VALR, 1 0.0,TERP(1,IBM)) ENDIF IBM=0 ELSE IF((TEXT72.EQ.'APEX').OR.(TEXT72.EQ.'TABLE').OR. 1 (TEXT72.EQ.'CHAIN').OR.(TEXT72.EQ.';')) THEN *---- * CHECK TERP FACTORS AND RETURN *---- IF(TEXT72.EQ.';') ITER=0 IF(TEXT72.EQ.'APEX') ITER=1 IF(TEXT72.EQ.'TABLE') ITER=2 IF(TEXT72.EQ.'CHAIN') ITER=3 DO 150 IBM=1,NMIX IBMOLD=MIXC(IBM) IF(IBMOLD.EQ.0) GO TO 150 IF(NISO(IBM).GT.MAXNIS) CALL XABORT('ACRDRV: MAXNIS OVERFLOW.') IF(LDELTA(IBM)) THEN SUM=0.0 ELSE SUM=1.0 ENDIF DO 140 ICAL=1,NCAL SUM=SUM-TERP(ICAL,IBM) 140 CONTINUE IF(ABS(SUM).GT.1.0E-4) THEN WRITE(HSMG,'(43HACRDRV: INVALID INTERPOLATION FACTORS IN MI, 1 5HXTURE,I4,1H.)') IBM CALL XABORT(HSMG) ENDIF 150 CONTINUE GO TO 160 ELSE CALL XABORT('ACRDRV: '//TEXT72//' IS AN INVALID KEYWORD.') ENDIF GO TO 10 *---- * PRINT INTERPOLATION (TERP) FACTORS *---- 160 IF(IMPX.GT.2) THEN WRITE(IOUT,'(/30H ACRDRV: INTERPOLATION FACTORS)') DO ICAL=1,NCAL DO IBM=1,NMIX IF(TERP(ICAL,IBM).NE.0.0) THEN WRITE(IOUT,170) ICAL,(TERP(ICAL,JBM),JBM=1,NMIX) EXIT ENDIF ENDDO ENDDO ENDIF *---- * SCRATCH STORAGE DEALLOCATION *---- IF(NPAR.GT.0) DEALLOCATE(PARFMT,PARKEY) DEALLOCATE(LDELTA) RETURN 170 FORMAT(6H CALC=,I8,6H TERP=,1P,8E13.5/(20X,8E13.5)) END