diff --git a/ReleaseNotes.md b/ReleaseNotes.md index 60cc3517..886b117e 100644 --- a/ReleaseNotes.md +++ b/ReleaseNotes.md @@ -4,6 +4,9 @@ Given here are some release notes for NJOY2016. Each release is made through a f ## [NJOY2016.72](https://github.com/njoy/NJOY2016/pull/xxx) This update fixes the following issues: - Fixed an issue in GROUPR related to an error coming up in production matrix calculations. Depending on when a user asks for a production matrix associated to a reaction, it is possible that the reference frame of the previous reaction is used instead (caused by erronously defining an already declared global variable as local with a "save" attribute). In some circumstances, this causes NJOY2016 to error out (with a message related to unsupported reference frames). No test results had to be updated due to this change. + - Fixed issues in acer to properly print already existing dosimetry and photoatomic ace files when running a stand-alone acer iopt=7 job. + - The meaning of legord and ifissp in the ERRORR input file has been repurposed when mfcov=34. The values now represent the L,L1 values of the MF34 sub-subsection to be calculated (instead of the first one). By default, the L=1,L1=1 sub-subsection will be calculated which in almost all cases will correspond to the first sub-subsection in the MF34 data (as a result, the default behaviour of NJOY2016 will not change). + - Increased allocation of arrays to accommodate ENDF/B-VIII.1 evaluations. ## [NJOY2016.71](https://github.com/njoy/NJOY2016/pull/301) This update adds the new MF7 MT451 (thermal scattering general information) ENDF format to MODER so that this module will be able to interpret the new MF7 section. No other capability in NJOY2016 currently uses the information in this section. diff --git a/src/acecm.f90 b/src/acecm.f90 index 6e19f7cb..5e0ada16 100644 --- a/src/acecm.f90 +++ b/src/acecm.f90 @@ -146,7 +146,15 @@ subroutine mtname(mt,name,izai) '(n,xhe3) ','(n,xa) '/) character(10)::hndf10(1)='damage ' - if (iverf.ge.6) then + !-- default name value is blank unless reset below. + name='' + + !--when iverf=-1 the endf version used to create this file is + ! unknown. we assume it comes from version 6 but if the file + ! originated from version 5 or earlier the name assigned here + ! might be incorrect. + + if (iverf.ge.6.or.iverf.eq.-1) then if (mt.ge.201.and.mt.le.207) then name=hndf9(mt-200) else if (mt.eq.444) then diff --git a/src/acedo.f90 b/src/acedo.f90 index c310dffa..bd7c7659 100644 --- a/src/acedo.f90 +++ b/src/acedo.f90 @@ -334,7 +334,7 @@ subroutine dosfix(itype,nin,nout,ndir,iprint,nplot,mcnpx,& read(nin,'(8i9)')& len2,za,nxs3,ntr,nxsd(1:12),& lone,jxs2,mtr,jxs4,jxs5,lsig,sigd,jxsd(1:14),end,jxsd2(1:10) - n=(lone+3)/4 + n=(len2+3)/4 l=0 do i=1,n read (nin,'(4e20.0)') (xss(l+j),j=1,4) diff --git a/src/acepa.f90 b/src/acepa.f90 index 764daa64..f5708489 100644 --- a/src/acepa.f90 +++ b/src/acepa.f90 @@ -804,6 +804,7 @@ subroutine phoprt(hk) !------------------------------------------------------------------- ! Print ACE photon interaction data from memory. !------------------------------------------------------------------- + use endf ! provides iverf use mainio ! provides nsyso ! externals character(70)::hk @@ -840,6 +841,11 @@ subroutine phoprt(hk) iabs=icoh+nes ipair=iabs+nes ihtng=lhnm-1 + + !--if this is a stand-alone acer iopt=7 job then iverf retains + ! its default -1 value and the values written as natural logs + ! need to be converted back to real numbers prior to printing. + do i=1,nes if (mod(i,57).eq.1) write(nsyso,'(''1''/& &'' i'',8x,''energy'',4x,''incoherent'',& @@ -849,18 +855,23 @@ subroutine phoprt(hk) &4x,''----------'',4x,''----------'')') col(1)=blank x=xss(ieg+i) + if (iverf.eq.-1.and.x.ne.zero) x=exp(x) if (x.ne.zero) write(col(1),'(1p,e14.4)') x col(2)=blank x=xss(iinc+i) + if (iverf.eq.-1.and.x.ne.zero) x=exp(x) if (x.ne.zero) write(col(2),'(1p,e14.4)') x col(3)=blank x=xss(icoh+i) + if (iverf.eq.-1.and.x.ne.zero) x=exp(x) if (x.ne.zero) write(col(3),'(1p,e14.4)') x col(4)=blank x=xss(iabs+i) + if (iverf.eq.-1.and.x.ne.zero) x=exp(x) if (x.ne.zero) write(col(4),'(1p,e14.4)') x col(5)=blank x=xss(ipair+i) + if (iverf.eq.-1.and.x.ne.zero) x=exp(x) if (x.ne.zero) write(col(5),'(1p,e14.4)') x col(6)=blank x=xss(ihtng+i) @@ -906,6 +917,7 @@ subroutine phoout(itype,nout,ndir,mcnpx,hk,izn,awn) !------------------------------------------------------------------- ! Write photo-atomic ACE data to output and directory files. !------------------------------------------------------------------- + use endf ! provides iverf use util ! provides openz,closz,error use acecm ! provides write routines ! externals @@ -941,11 +953,12 @@ subroutine phoout(itype,nout,ndir,mcnpx,hk,izn,awn) len2,z,nes,nflo,nxsd(1:12),& eszg,jinc,jcoh,jflo,lhnm,jxsd(1:27) - !--eszg block + !--eszg block. + ! convert to natural log, if not already done, prior to writing l=eszg n=5*nes do i=1,n - if (xss(l).ne.0.) xss(l)=log(xss(l)) + if (xss(l).ne.0..and.iverf.ne.-1) xss(l)=log(xss(l)) call typen(l,nout,2) l=l+1 enddo diff --git a/src/endf.f90 b/src/endf.f90 index 620c3f5b..5371d930 100644 --- a/src/endf.f90 +++ b/src/endf.f90 @@ -17,7 +17,7 @@ module endf !--Public variables integer,public::npage=306 - integer,public::iverf + integer,public::iverf=-1 real(kr),public::c1h,c2h integer,public::l1h,l2h,n1h,n2h,math,mfh,mth,nsh,nsp,nsc real(kr),public::thr6 diff --git a/src/errorr.f90 b/src/errorr.f90 index 06b43a51..663a1ddc 100644 --- a/src/errorr.f90 +++ b/src/errorr.f90 @@ -229,14 +229,14 @@ subroutine errorr ! (mf=32) (default=1) ! 0 = area sensitivity method ! 1 = 1% sensitivity method - ! legord legendre order for calculating covariances (default=1) + ! l Legendre order for reaction MT (default=1) ! (if mfcov is not 34, legord is ignored) - ! ifissp subsection of the fission spectrum covariance - ! matrix to process (default=-1 which means process + ! l1/ifissp if mfcov is 34: Legendre order for reaction MT1 (default=1) + ! if mfcov is 35: matrix to process (default=-1 which means process ! the subsection that includes efmean). The value ! for ifissp that appears in njoy's standard output ! will equal the subsection containing efmean. - ! (if mfcov is not 35, ifissp is ignored) + ! (if mfcov is not 34 or 35, l1/ifissp is ignored) ! efmean incident neutron energy (eV). Process the covar- ! iance matrix subsection whose energy interval in- ! cludes efmean. if ifissp=-1 and efmean is not @@ -515,16 +515,21 @@ subroutine errorr mfcov=33 irespr=1 legord=1 - ifissp=-1 + ifissp=-1000 isru=0 dap=0 read(nsysi,*) iread,mfcov,irespr,legord,ifissp,efmean,dap + if (mfcov.eq.35.and.ifissp.eq.-1000) ifissp=-1 + if (mfcov.eq.34.and.ifissp.eq.-1000) ifissp=1 !--only allow legord=1 at this time - if (legord.ne.1) then - write(strng,'(''reset legord from '',i2,'' to 1'')')legord - call mess('errorr',strng,'') - legord=1 + if (mfcov.eq.34.and.legord.lt.0) then + write(strng,'(''Legendre order l for mf34 cannot be less than zero'')') + call error('errorr',strng,' ') + endif + if (mfcov.eq.34.and.ifissp.lt.0) then + write(strng,'(''Legendre order l1 for mf34 cannot be less than zero'')') + call error('errorr',strng,' ') endif !--input check for legal and/or consistent options @@ -681,8 +686,12 @@ subroutine errorr '('' irespr processing option for mf=33 ... '',i10)') irespr if (isru.ne.0) write(nsyso,& '('' user dap for scat radius unc override '',f11.4)') dap - if (mfcov.eq.34) write(nsyso,& - '('' legendre order for mf=34 ............. '',i10)') legord + if (mfcov.eq.34) then + write(nsyso,& + '('' legendre order l for mf=34 ........... '',i10)') legord + write(nsyso,& + '('' legendre order l1 for mf=34 .......... '',i10)') ifissp + endif if (mfcov.eq.35) then write(nsyso,& '('' igflag ............................... '',i10/& @@ -1771,7 +1780,7 @@ subroutine covcal integer::jh,loci,lt,lb,locip4,locip6,nk1,k,k2,locnec,nl1 integer::ifloc,nlt,nk,nlt1,locl,lend,loclp4,loclp6 integer::l2,m,m2,jgend,ih,ibase,ij,kmtb,isrrr,namx - integer::mat2,mt2,nlg1,nlg2,ld,ld1,izap,izero + integer::mat2,mt2,nlg1,nlg2,ld,ld1,izap,izero,ifoundmf34 real(kr)::eg,xcv,time,de,flux,dne character(70)::strng,strng2 integer,parameter::locm=100 @@ -1784,6 +1793,7 @@ subroutine covcal real(kr),parameter::zero=0 !--initialize + ifoundmf34=0 izero=0 nscr2=13 if (ngout.lt.0) nscr2=-nscr2 @@ -2051,7 +2061,8 @@ subroutine covcal 320 continue if (iok.eq.0) go to 600 if (mfcov.eq.34) then - if (ld.gt.legord.or.ld1.gt.legord) go to 650 + if (.not.(ld.eq.legord.and.ld1.eq.ifissp)) go to 650 + ifoundmf34=1 endif !--retrieve sigma for mt1, either from ngout or sig. @@ -2363,6 +2374,12 @@ subroutine covcal 660 continue call asend(0,nscr1) + !--check if we found the MF34 l,l1 sub-subsection + if (mfcov.eq.34.and.ifoundmf34.eq.0) then + write(strng,'(''no sub-subsection for l='',i2,'' and l1='',i2)') legord,ifissp + call error('covcal',strng,'in mf=34.') + endif + !--close loop over sections of mfcov go to 140 700 continue @@ -5653,7 +5670,11 @@ subroutine grpav4(mprint) z(6)=ig z(7)=ans(1,1) do i=1,legord - z(i+7)=ans(i,2) + if (ans(i,2).lt.1e-30) then + z(i+7)=0. + else + z(i+7)=ans(i,2) + endif enddo nwds=legord+7 call listio(0,nscr4,0,z,nb,nwds) @@ -6049,7 +6070,6 @@ subroutine rdlgnd(nscr4,matd,mtd,npl,b,alp) return end subroutine rdlgnd - subroutine fssigc(ncg,ncm,nun,csig,cflx,b,egt,flux,sig) !-------------------------------------------------------------------- ! Calculate the coarse group fission spectrum chi. diff --git a/src/groupr.f90 b/src/groupr.f90 index 068f6c89..8f831c40 100644 --- a/src/groupr.f90 +++ b/src/groupr.f90 @@ -6440,7 +6440,7 @@ subroutine getyld(e,enext,idis,yld,mat,mf,mt,lfs,itape) !--initialize if (e.gt.zero) go to 200 - ntmp=10000 + ntmp=20000 allocate(tmp(ntmp)) mft=mf if (mft.ge.40000000) mft=10 @@ -11385,7 +11385,7 @@ subroutine conver(nin,nout,nscr) call contio(nin,nout,nscr,scr,nb,nw) if (mfh.eq.0) go to 110 if (mth.ne.452) go to 595 - nnu=8000 + nnu=20000 allocate(nu(nnu)) l=1 lnu=l2h @@ -11393,7 +11393,7 @@ subroutine conver(nin,nout,nscr) if (lnu.eq.2) call tab1io(nin,nout,nscr,nu(l),nb,nw) do while (nb.ne.0) if (l+nw.gt.nnu) call error('conver',& - 'storage for fission nu exceeded',' ') + 'storage for fission nu exceeded (increase the size of the nu array)',' ') l=l+nw call moreio(nin,nout,nscr,nu(l),nb,nw) enddo diff --git a/tests/15/input b/tests/15/input index ddcde14b..c2e1b122 100755 --- a/tests/15/input +++ b/tests/15/input @@ -47,7 +47,7 @@ errorr -21 0 91 27 0 0 / 9237 3 6 1 1 / 1 300./ - 0 34 1 1 -1 / + 0 34 1 1 1 / -- -- make mf31 plot file. covr diff --git a/tests/65/referenceTape41 b/tests/65/referenceTape41 index a638e5f8..1309650b 100644 --- a/tests/65/referenceTape41 +++ b/tests/65/referenceTape41 @@ -18,9 +18,187 @@ MG ENDF/B-VIII.0 U235 with MF34 MT2 using multiple subsections 0 0 0 0 9228 3 099999 9228 0 0 0 9.223501+4 2.330248+2 0 1 1 1922834251 1 - 0.000000+0 0.000000+0 251 0 0 30922834251 2 - 0.000000+0 0.000000+0 1 30 1 30922834251 3 - 0.000000+0 922834251 4 + 0.000000+0 0.000000+0 251 1 1 30922834251 2 + 0.000000+0 0.000000+0 30 1 30 1922834251 3 + 1.909112-3 1.899150-3 2.693970-3 2.693970-3 2.694657-3 2.695160-3922834251 4 + 2.699395-3 2.675051-3 2.635896-3 2.616957-3 2.632244-3 2.639829-3922834251 5 + 2.632890-3 2.598824-3 1.852302-3 1.062554-3 5.941603-4 6.646260-4922834251 6 + 1.554900-3 2.212927-3 2.047202-3 1.584302-3 1.109555-3 4.650764-4922834251 7 + 8.013335-4 9.426850-4 1.550460-3 1.924041-3 2.073363-3 2.013580-3922834251 8 + 0.000000+0 0.000000+0 30 1 30 2922834251 9 + 1.899150-3 1.391900-3 1.968743-3 1.968743-3 2.388411-3 2.695166-3922834251 10 + 2.699401-3 2.675060-3 2.635909-3 2.616976-3 2.632274-3 2.639868-3922834251 11 + 2.632929-3 2.598859-3 1.852323-3 1.062565-3 5.941634-4 6.646294-4922834251 12 + 1.554915-3 2.212952-3 2.047221-3 1.584315-3 1.109562-3 4.650757-4922834251 13 + 8.013290-4 9.426819-4 1.550464-3 1.924051-3 2.073373-3 2.013590-3922834251 14 + 0.000000+0 0.000000+0 30 1 30 3922834251 15 + 2.693970-3 1.968743-3 4.000000-4 4.000000-4 1.725968-3 2.695180-3922834251 16 + 2.699415-3 2.675076-3 2.635933-3 2.617014-3 2.632327-3 2.639935-3922834251 17 + 2.632999-3 2.598920-3 1.852362-3 1.062583-3 5.941688-4 6.646351-4922834251 18 + 1.554940-3 2.212993-3 2.047255-3 1.584342-3 1.109574-3 4.650745-4922834251 19 + 8.013211-4 9.426767-4 1.550474-3 1.924070-3 2.073392-3 2.013609-3922834251 20 + 0.000000+0 0.000000+0 30 1 30 4922834251 21 + 2.693970-3 1.968743-3 4.000000-4 4.000000-4 1.725968-3 2.695180-3922834251 22 + 2.699415-3 2.675076-3 2.635933-3 2.617014-3 2.632327-3 2.639935-3922834251 23 + 2.632999-3 2.598920-3 1.852362-3 1.062583-3 5.941688-4 6.646351-4922834251 24 + 1.554940-3 2.212993-3 2.047255-3 1.584342-3 1.109574-3 4.650745-4922834251 25 + 8.013211-4 9.426767-4 1.550474-3 1.924070-3 2.073392-3 2.013609-3922834251 26 + 0.000000+0 0.000000+0 30 1 30 5922834251 27 + 2.694657-3 2.388411-3 1.725968-3 1.725968-3 1.519863-3 1.369212-3922834251 28 + 2.340192-3 2.675362-3 2.636325-3 2.617616-3 2.633223-3 2.641078-3922834251 29 + 2.634211-3 2.599987-3 1.853052-3 1.062897-3 5.942628-4 6.647392-4922834251 30 + 1.555420-3 2.213739-3 2.047893-3 1.584758-3 1.109807-3 4.650552-4922834251 31 + 8.011834-4 9.425886-4 1.550602-3 1.924338-3 2.073717-3 2.013919-3922834251 32 + 0.000000+0 0.000000+0 30 1 30 6922834251 33 + 2.695160-3 2.695166-3 2.695180-3 2.695180-3 1.369212-3 4.000000-4922834251 34 + 2.077619-3 2.675571-3 2.636612-3 2.618057-3 2.633877-3 2.641914-3922834251 35 + 2.635097-3 2.600767-3 1.853555-3 1.063126-3 5.943316-4 6.648153-4922834251 36 + 1.555770-3 2.214284-3 2.048360-3 1.585062-3 1.109978-3 4.650411-4922834251 37 + 8.010827-4 9.425241-4 1.550695-3 1.924534-3 2.073955-3 2.014146-3922834251 38 + 0.000000+0 0.000000+0 30 1 30 7922834251 39 + 2.699395-3 2.699401-3 2.699415-3 2.699415-3 2.340192-3 2.077619-3922834251 40 + 1.309460-3 2.664903-3 2.639025-3 2.621764-3 2.639403-3 2.648967-3922834251 41 + 2.642566-3 2.607330-3 1.857794-3 1.065072-3 5.949103-4 6.654557-4922834251 42 + 1.558723-3 2.218871-3 2.052274-3 1.587635-3 1.111428-3 4.649225-4922834251 43 + 8.002357-4 9.419821-4 1.551487-3 1.926192-3 2.075959-3 2.016061-3922834251 44 + 0.000000+0 0.000000+0 30 1 30 8922834251 45 + 2.675051-3 2.675060-3 2.675076-3 2.675076-3 2.675362-3 2.675571-3922834251 46 + 2.664903-3 2.180207-3 2.610755-3 2.635684-3 2.680690-3 2.713939-3922834251 47 + 2.716470-3 2.674378-3 1.903551-3 1.086197-3 5.996089-4 6.671733-4922834251 48 + 1.578155-3 2.250732-3 2.078740-3 1.606171-3 1.124096-3 4.647319-4922834251 49 + 7.873479-4 9.274535-4 1.550200-3 1.934850-3 2.090055-3 2.031008-3922834251 50 + 0.000000+0 0.000000+0 30 1 30 9922834251 51 + 2.635896-3 2.635909-3 2.635933-3 2.635933-3 2.636325-3 2.636612-3922834251 52 + 2.639025-3 2.610755-3 2.100978-3 2.691916-3 2.823939-3 2.926578-3922834251 53 + 2.954149-3 2.888492-3 2.047583-3 1.152843-3 6.158771-4 6.768803-4922834251 54 + 1.649991-3 2.366027-3 2.174304-3 1.669762-3 1.163129-3 4.602256-4922834251 55 + 7.482818-4 8.880503-4 1.552098-3 1.966731-3 2.136758-3 2.077628-3922834251 56 + 0.000000+0 0.000000+0 30 1 30 10922834251 57 + 2.616957-3 2.616976-3 2.617014-3 2.617014-3 2.617616-3 2.618057-3922834251 58 + 2.621764-3 2.635684-3 2.691916-3 2.308679-3 3.069432-3 3.321837-3922834251 59 + 3.391862-3 3.281464-3 2.309529-3 1.273509-3 6.453405-4 6.956407-4922834251 60 + 1.786546-3 2.586801-3 2.358151-3 1.788835-3 1.231172-3 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