From 4b4d7ef5e4ad4b4a19eefa935b21e4ff0243e6ad Mon Sep 17 00:00:00 2001 From: Wim Haeck Date: Tue, 28 Feb 2023 13:10:48 -0700 Subject: [PATCH 01/14] Adding l,l1 logiv for sub-subsection selection in MF34 --- src/errorr.f90 | 41 ++++++++++++++++++++++++++++------------- 1 file changed, 28 insertions(+), 13 deletions(-) diff --git a/src/errorr.f90 b/src/errorr.f90 index 06b43a51..a2d3b6f1 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=0) ! (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=0) + ! 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 @@ -514,17 +514,20 @@ subroutine errorr iread=0 mfcov=33 irespr=1 - legord=1 + legord=0 ifissp=-1 isru=0 dap=0 read(nsysi,*) iread,mfcov,irespr,legord,ifissp,efmean,dap !--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 +684,12 @@ 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 +1778,7 @@ 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 +1791,7 @@ subroutine covcal real(kr),parameter::zero=0 !--initialize + ifoundmf34=0 izero=0 nscr2=13 if (ngout.lt.0) nscr2=-nscr2 @@ -2051,7 +2059,8 @@ 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 +2372,12 @@ 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 From 80e8fad285ac61dbb93d927857e3b4cd5bbc1a70 Mon Sep 17 00:00:00 2001 From: Wim Haeck Date: Tue, 28 Feb 2023 13:45:25 -0700 Subject: [PATCH 02/14] Set l=1 and l1=1 as default, update test 15 --- src/errorr.f90 | 10 ++++++---- tests/15/input | 2 +- 2 files changed, 7 insertions(+), 5 deletions(-) diff --git a/src/errorr.f90 b/src/errorr.f90 index a2d3b6f1..b745f489 100644 --- a/src/errorr.f90 +++ b/src/errorr.f90 @@ -229,9 +229,9 @@ subroutine errorr ! (mf=32) (default=1) ! 0 = area sensitivity method ! 1 = 1% sensitivity method - ! l Legendre order for reaction MT (default=0) + ! l Legendre order for reaction MT (default=1) ! (if mfcov is not 34, legord is ignored) - ! l1/ifissp if mfcov is 34: Legendre order for reaction MT1 (default=0) + ! 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 @@ -514,11 +514,13 @@ subroutine errorr iread=0 mfcov=33 irespr=1 - legord=0 - ifissp=-1 + legord=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 (mfcov.eq.34.and.legord.lt.0) then 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 From 3ed34fb9fd176e98c49fd691486f0b42cb27b55a Mon Sep 17 00:00:00 2001 From: Wim Haeck Date: Tue, 28 Feb 2023 14:12:49 -0700 Subject: [PATCH 03/14] Updating test 65 since l=0, l1=0 is no longer the one being calculated --- tests/65/referenceTape41 | 184 ++++++++++++++++++++++++++++++++++++++- 1 file changed, 181 insertions(+), 3 deletions(-) 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 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3.357297-3922834251 182 922834 099999 9228 0 0 0 0 0 0 0 From 58ef75ea043bf9ac0f4ab3c882349db98a8aa5d3 Mon Sep 17 00:00:00 2001 From: Wim Haeck Date: Tue, 28 Feb 2023 14:39:17 -0700 Subject: [PATCH 04/14] Updating release notes --- ReleaseNotes.md | 1 + 1 file changed, 1 insertion(+) diff --git a/ReleaseNotes.md b/ReleaseNotes.md index 933d938f..fdd9f10a 100644 --- a/ReleaseNotes.md +++ b/ReleaseNotes.md @@ -5,6 +5,7 @@ Given here are some release notes for NJOY2016. Each release is made through a f This update fixes a number of minor issues: - Fixed an issue in HEATR when reading evaluations with large multiplicity tables in MF6. - Multiple ERRORR calls can now be made in the same input file without crashing. This is of interest to users that wish to process MF34 and MF35 (where ERRORR needs to be called for each sub-subsection and incident energy group). + - 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). A few compiler warnings have been resolved as well (unused variables). For source files that were corrected in this way, the remaining warnings relate to equality comparisons for real values, unused dummy arguments in subroutines and potential 0 indices into arrays (in all cases, if statements prevented this from happening). From 5c0cb5bfc940531c745b09f997f4a32e638a3a34 Mon Sep 17 00:00:00 2001 From: Wim Haeck Date: Mon, 13 Mar 2023 11:15:19 -0600 Subject: [PATCH 05/14] saving - REMOVE THIS!!!!! --- src/errorr.f90 | 45 +++++++++++++++++++++++++++++++++++++++++---- 1 file changed, 41 insertions(+), 4 deletions(-) diff --git a/src/errorr.f90 b/src/errorr.f90 index b745f489..9b0e807d 100644 --- a/src/errorr.f90 +++ b/src/errorr.f90 @@ -1051,8 +1051,9 @@ subroutine errorr !--compute MF33 covariance matrices ek(1)=sigfig(ek(1),ndig,0) if (abs(egn(1)-elo).le.eps) egn(1)=elo +print*, 'before covcal' call covcal - +print*, 'after covcal' !--add MF32 covariance matrices and write output tape. call covout @@ -1791,7 +1792,7 @@ subroutine covcal real(kr),dimension(:),allocatable::b real(kr),parameter::small=1.e-10_kr real(kr),parameter::zero=0 - +print*, 'here' !--initialize ifoundmf34=0 izero=0 @@ -1841,6 +1842,7 @@ subroutine covcal call rdgout(ngout,matd,mfd,mtd,izero,b,flx) nsc=0 call rdsig(matd,izero,izero,b,scr) + print*, 'here2' !--temporary patch for missing mf33 if (mf33.eq.0.and.mfcov.eq.33) then @@ -1906,6 +1908,7 @@ subroutine covcal endif izap=10*l1h+l2h endif + print*, 'here3' ! ignore components of a lumped reaction if (nl.eq.0) go to 140 @@ -1957,9 +1960,11 @@ subroutine covcal else call lumpxs(mtl,mtl,sig,sig1,b,scr2) endif + print*, 'here4' !--loop over different covariance matrices for this reaction do 650 il=1,nl +print*, 'in loop ', il if (mfcov.eq.35) then mat1=0 mt1=mth @@ -2006,6 +2011,7 @@ subroutine covcal mat1=matc(1) mt1=mtc(1) kmtb=kmt1 + print*, '-- 1' !--read in all sub-subsections for this matrix. 230 continue @@ -2064,6 +2070,7 @@ subroutine covcal if (.not.(ld.eq.legord.and.ld1.eq.ifissp)) go to 650 ifoundmf34=1 endif + print*, '-- 2' !--retrieve sigma for mt1, either from ngout or sig. if (kmt1.ne.nmts) then @@ -2079,9 +2086,13 @@ subroutine covcal endif if (mfcov.eq.34) then + print*, '-- 2a' call rdlgnd(nscr4,matd,mth,ld,b,alp1) + print*, '-- 2b' call rdlgnd(nscr4,matd,mt1,ld1,b,alp2) + print*, '-- 2c' endif + print*, '-- 3' !--generate covariance matrix using specified laws. do 570 jg=1,nunion @@ -2136,6 +2147,7 @@ subroutine covcal locip6=loci+6 nk1=np-1 if (lb.ne.8) go to 880 + print*, '-- 4' !--separate treatment for lb=8 if (jh.ne.jg) go to 510 @@ -2177,6 +2189,7 @@ subroutine covcal go to 510 800 continue if (lb.ne.6) go to 850 + print*, '-- 5' !--separate treatment for lb=6 k=0 @@ -2233,6 +2246,7 @@ subroutine covcal cov(jh)=cov(jh)+scr(ifloc+np)*sig(jg)*sig1(jh) endif go to 510 + print*, '-- 6' !--integrated treatment for lb=0 thru lb=4. 410 continue @@ -2307,6 +2321,7 @@ subroutine covcal cov(jh)=cov(jh)+scr(loci+5+k2) 510 continue 520 continue + print*, '-- 6' !--write one row of the covariance matrix on scratch tape. jgend=0 @@ -2353,6 +2368,7 @@ subroutine covcal enddo 570 continue go to 650 + print*, '-- 7' !--write a null covariance matrix on scratch tape. 600 continue @@ -2370,9 +2386,12 @@ subroutine covcal call listio(0,0,nscr1,b,nb,nw) !--close loop over subsections of mfcov + print*, 'done loop' + 650 continue 660 continue call asend(0,nscr1) + print*, 'done!' !--check if we found the MF34 l,l1 sub-subsection if (mfcov.eq.34.and.ifoundmf34.eq.0) then @@ -5599,6 +5618,7 @@ subroutine grpav4(mprint) mfd=3 mtd=iga(imt) do 260 ig=1,nunion +print*, 'union loop ', ig elo=un(ig) ehi=un(1+ig) ig2lo=0 @@ -5632,6 +5652,7 @@ subroutine grpav4(mprint) go to 260 endif else + print*, 'from nscr5' !--collapse NGOUT (now nscr5) Legendre data to the union grid ! - we already know ge(1).le.un(1) & ge(nng+1).ge.un(nunion) ! - n is a group number, bounded by ge(n) to ge(n+1) @@ -5669,8 +5690,14 @@ subroutine grpav4(mprint) z(5)=nw z(6)=ig z(7)=ans(1,1) +print*, z(1), z(2), z(3), z(4), z(5), z(6) do i=1,legord + if (ans(i,2).lt.1e-30) then + z(i+7)=0. + else z(i+7)=ans(i,2) + endif +print*, z(i+7) enddo nwds=legord+7 call listio(0,nscr4,0,z,nb,nwds) @@ -6043,26 +6070,36 @@ subroutine rdlgnd(nscr4,matd,mtd,npl,b,alp) real(kr)::b(*),alp(*) ! internals integer::nl,ngt,i,il,jg,nb,nwds - +print*, 'rdlgnd' !--set up header record call repoz(nscr4) + print*, 'before findf' call findf(matd,4,mtd,nscr4) + print*, 'before contio' call contio(nscr4,0,0,b,nb,nwds) + print*, 'after contio' nl=l2h ngt=n2h do i=1,ngt alp(i)=0 enddo - if (npl.gt.nl) return + if (npl.gt.nl) then + print*, 'done with rdlgnd' + + return + endif + print*, 'here?' il=npl+7 !--retrieve desired legendre coefficient jg=0 do while (jg.lt.ngt) + print*, 'whar about here?' call listio(nscr4,0,0,b,nb,nwds) jg=n2h alp(jg)=b(il) enddo + print*, 'done with rdlgnd' return end subroutine rdlgnd From e2ba86c2850781a09b735cc6c0562398edc7e709 Mon Sep 17 00:00:00 2001 From: Skip Kahler Date: Sun, 30 Jul 2023 08:07:52 -0400 Subject: [PATCH 06/14] Update acedo.f90 correct the do loop upper index to properly read the entire xss array. --- src/acedo.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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) From 0c6c855e2e6537891c2fe656348c574d90d9a14b Mon Sep 17 00:00:00 2001 From: Skip Kahler Date: Thu, 3 Aug 2023 10:43:23 -0400 Subject: [PATCH 07/14] Update endf.f90 Defining a default value for iverf. --- src/endf.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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 From 2f972f5f69dcfd9de267694cf0f37d6f3cef186d Mon Sep 17 00:00:00 2001 From: Skip Kahler Date: Thu, 3 Aug 2023 10:52:50 -0400 Subject: [PATCH 08/14] Update acecm.f90 Set default for "name". Updatee for new "iverf" option. --- src/acecm.f90 | 10 +++++++++- 1 file changed, 9 insertions(+), 1 deletion(-) 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 From 11680f6f8168a6cbc377895b600f9e0b4acb191e Mon Sep 17 00:00:00 2001 From: Skip Kahler Date: Thu, 3 Aug 2023 11:05:18 -0400 Subject: [PATCH 09/14] Update acepa.f90 Update for new iverf option. --- src/acepa.f90 | 17 +++++++++++++++-- 1 file changed, 15 insertions(+), 2 deletions(-) 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 From 05046fd355e21131c538a6f89df33305b01597a8 Mon Sep 17 00:00:00 2001 From: Skip Kahler Date: Thu, 3 Aug 2023 11:09:19 -0400 Subject: [PATCH 10/14] Update ReleaseNotes for acer/iopt=7 fix. --- ReleaseNotes.md | 1 + 1 file changed, 1 insertion(+) diff --git a/ReleaseNotes.md b/ReleaseNotes.md index 60cc3517..e5f257ba 100644 --- a/ReleaseNotes.md +++ b/ReleaseNotes.md @@ -4,6 +4,7 @@ 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. ## [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. From ba34c1ae7557936bdad34bebf9adced4c44950f3 Mon Sep 17 00:00:00 2001 From: Wim Haeck Date: Wed, 23 Aug 2023 13:43:21 -0600 Subject: [PATCH 11/14] Increasing nu array size in groupr --- ReleaseNotes.md | 1 + src/groupr.f90 | 4 ++-- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/ReleaseNotes.md b/ReleaseNotes.md index 60cc3517..244b7520 100644 --- a/ReleaseNotes.md +++ b/ReleaseNotes.md @@ -4,6 +4,7 @@ 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. + - 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/groupr.f90 b/src/groupr.f90 index 068f6c89..af855c4d 100644 --- a/src/groupr.f90 +++ b/src/groupr.f90 @@ -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=10000 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 From 53057d274326e835eabbfd1334d105122f336107 Mon Sep 17 00:00:00 2001 From: Wim Haeck Date: Wed, 23 Aug 2023 14:14:41 -0600 Subject: [PATCH 12/14] More array size changes in groupr --- src/groupr.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/groupr.f90 b/src/groupr.f90 index af855c4d..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=10000 + nnu=20000 allocate(nu(nnu)) l=1 lnu=l2h From 3d2fbf79befac945fa8f601f78f6ed91a8455180 Mon Sep 17 00:00:00 2001 From: Wim Haeck Date: Tue, 29 Aug 2023 09:20:42 -0600 Subject: [PATCH 13/14] Removing print* outputs that were left in --- src/errorr.f90 | 42 ++++-------------------------------------- 1 file changed, 4 insertions(+), 38 deletions(-) diff --git a/src/errorr.f90 b/src/errorr.f90 index 9b0e807d..03642cfe 100644 --- a/src/errorr.f90 +++ b/src/errorr.f90 @@ -1051,9 +1051,8 @@ subroutine errorr !--compute MF33 covariance matrices ek(1)=sigfig(ek(1),ndig,0) if (abs(egn(1)-elo).le.eps) egn(1)=elo -print*, 'before covcal' call covcal -print*, 'after covcal' + !--add MF32 covariance matrices and write output tape. call covout @@ -1792,7 +1791,7 @@ subroutine covcal real(kr),dimension(:),allocatable::b real(kr),parameter::small=1.e-10_kr real(kr),parameter::zero=0 -print*, 'here' + !--initialize ifoundmf34=0 izero=0 @@ -1842,7 +1841,6 @@ subroutine covcal call rdgout(ngout,matd,mfd,mtd,izero,b,flx) nsc=0 call rdsig(matd,izero,izero,b,scr) - print*, 'here2' !--temporary patch for missing mf33 if (mf33.eq.0.and.mfcov.eq.33) then @@ -1908,7 +1906,6 @@ subroutine covcal endif izap=10*l1h+l2h endif - print*, 'here3' ! ignore components of a lumped reaction if (nl.eq.0) go to 140 @@ -1960,11 +1957,9 @@ subroutine covcal else call lumpxs(mtl,mtl,sig,sig1,b,scr2) endif - print*, 'here4' !--loop over different covariance matrices for this reaction do 650 il=1,nl -print*, 'in loop ', il if (mfcov.eq.35) then mat1=0 mt1=mth @@ -2011,7 +2006,6 @@ subroutine covcal mat1=matc(1) mt1=mtc(1) kmtb=kmt1 - print*, '-- 1' !--read in all sub-subsections for this matrix. 230 continue @@ -2070,7 +2064,6 @@ subroutine covcal if (.not.(ld.eq.legord.and.ld1.eq.ifissp)) go to 650 ifoundmf34=1 endif - print*, '-- 2' !--retrieve sigma for mt1, either from ngout or sig. if (kmt1.ne.nmts) then @@ -2086,13 +2079,9 @@ subroutine covcal endif if (mfcov.eq.34) then - print*, '-- 2a' call rdlgnd(nscr4,matd,mth,ld,b,alp1) - print*, '-- 2b' call rdlgnd(nscr4,matd,mt1,ld1,b,alp2) - print*, '-- 2c' endif - print*, '-- 3' !--generate covariance matrix using specified laws. do 570 jg=1,nunion @@ -2147,7 +2136,6 @@ subroutine covcal locip6=loci+6 nk1=np-1 if (lb.ne.8) go to 880 - print*, '-- 4' !--separate treatment for lb=8 if (jh.ne.jg) go to 510 @@ -2189,7 +2177,6 @@ subroutine covcal go to 510 800 continue if (lb.ne.6) go to 850 - print*, '-- 5' !--separate treatment for lb=6 k=0 @@ -2246,7 +2233,6 @@ subroutine covcal cov(jh)=cov(jh)+scr(ifloc+np)*sig(jg)*sig1(jh) endif go to 510 - print*, '-- 6' !--integrated treatment for lb=0 thru lb=4. 410 continue @@ -2321,7 +2307,6 @@ subroutine covcal cov(jh)=cov(jh)+scr(loci+5+k2) 510 continue 520 continue - print*, '-- 6' !--write one row of the covariance matrix on scratch tape. jgend=0 @@ -2368,7 +2353,6 @@ subroutine covcal enddo 570 continue go to 650 - print*, '-- 7' !--write a null covariance matrix on scratch tape. 600 continue @@ -2386,12 +2370,9 @@ subroutine covcal call listio(0,0,nscr1,b,nb,nw) !--close loop over subsections of mfcov - print*, 'done loop' - 650 continue 660 continue call asend(0,nscr1) - print*, 'done!' !--check if we found the MF34 l,l1 sub-subsection if (mfcov.eq.34.and.ifoundmf34.eq.0) then @@ -5618,7 +5599,6 @@ subroutine grpav4(mprint) mfd=3 mtd=iga(imt) do 260 ig=1,nunion -print*, 'union loop ', ig elo=un(ig) ehi=un(1+ig) ig2lo=0 @@ -5652,7 +5632,6 @@ subroutine grpav4(mprint) go to 260 endif else - print*, 'from nscr5' !--collapse NGOUT (now nscr5) Legendre data to the union grid ! - we already know ge(1).le.un(1) & ge(nng+1).ge.un(nunion) ! - n is a group number, bounded by ge(n) to ge(n+1) @@ -5690,14 +5669,12 @@ subroutine grpav4(mprint) z(5)=nw z(6)=ig z(7)=ans(1,1) -print*, z(1), z(2), z(3), z(4), z(5), z(6) do i=1,legord if (ans(i,2).lt.1e-30) then z(i+7)=0. else z(i+7)=ans(i,2) endif -print*, z(i+7) enddo nwds=legord+7 call listio(0,nscr4,0,z,nb,nwds) @@ -6070,40 +6047,29 @@ subroutine rdlgnd(nscr4,matd,mtd,npl,b,alp) real(kr)::b(*),alp(*) ! internals integer::nl,ngt,i,il,jg,nb,nwds -print*, 'rdlgnd' + !--set up header record call repoz(nscr4) - print*, 'before findf' call findf(matd,4,mtd,nscr4) - print*, 'before contio' call contio(nscr4,0,0,b,nb,nwds) - print*, 'after contio' nl=l2h ngt=n2h do i=1,ngt alp(i)=0 enddo - if (npl.gt.nl) then - print*, 'done with rdlgnd' - - return - endif - print*, 'here?' + if (npl.gt.nl) return il=npl+7 !--retrieve desired legendre coefficient jg=0 do while (jg.lt.ngt) - print*, 'whar about here?' call listio(nscr4,0,0,b,nb,nwds) jg=n2h alp(jg)=b(il) enddo - print*, 'done with rdlgnd' return end subroutine rdlgnd - subroutine fssigc(ncg,ncm,nun,csig,cflx,b,egt,flux,sig) !-------------------------------------------------------------------- ! Calculate the coarse group fission spectrum chi. From 866fd0ef9ee78304ab2ec4e2fd1d447a9e8e5b59 Mon Sep 17 00:00:00 2001 From: Wim Haeck Date: Thu, 7 Sep 2023 09:10:49 -0600 Subject: [PATCH 14/14] fixing indentation --- src/errorr.f90 | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/src/errorr.f90 b/src/errorr.f90 index 03642cfe..663a1ddc 100644 --- a/src/errorr.f90 +++ b/src/errorr.f90 @@ -5670,11 +5670,11 @@ subroutine grpav4(mprint) z(6)=ig z(7)=ans(1,1) do i=1,legord - if (ans(i,2).lt.1e-30) then - z(i+7)=0. - else - z(i+7)=ans(i,2) - endif + 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)