Merge pull request #361 from njoy/develop

NJOY2016.78

.github/workflows/ContinuousIntegration.yml

@@ -18,7 +18,7 @@ jobs:
     runs-on: ${{matrix.os}}
     strategy:
       matrix:
-        os: [ ubuntu-22.04, macos-12 ]
+        os: [ ubuntu-22.04, macos-13 ]
         build_type: [ Debug, Release ]
         vFortran: [ gfortran-12 ]
 

ReleaseNotes.md

@@ -1,7 +1,13 @@
 # Release Notes—NJOY2016
 Given here are some release notes for NJOY2016. Each release is made through a formal [Pull Request](https://github.com/njoy/NJOY2016/pulls) made on GitHub. There are links in this document that point to each of those Pull Requests, where you can see in great details the changes that were made. Often the Pull Requests are made in response to an [issue](https://github.com/njoy/NJOY2016/issues). In such cases, links to those issues are also given.
 
-## NJOY2016.77
+## [NJOY2016.78](https://github.com/njoy/NJOY2016/pull/xxx)
+This update fixes the following issues:
+  - Tape numbers are now allowed to go up to 999 instead of 99 previously. This change was made to accommodate processing of the light water evaluation in ENDF/B-VIII.1 that has 94 temperatures. Test 84 was added to detect this issue in the future.
+  - A few updates were made related to array sizes and array allocation.
+  - Adding a message to signal malformed ENDF files when l-value lists for SLBW/MLBW and Reich-Moore have nrs=0 (no resonances given for this l value).
+
+## [NJOY2016.77](https://github.com/njoy/NJOY2016/pull/347)
 This update fixes the following issues:
   - Background cross section values for reactions other than total, elastic, fission and capture were not handled properly in the unresolved resonance region. The background for total, elastic, fission and capture is integrated into the unresolved resonance cross section values in the genunr subroutine. In the emerge subroutine, the background in the unresolved resonance region was therefore zeroed out for any resonance reaction. This has never been an issue but now we have LRF=7 evaluations that can define reactions other than total, elastic, fission and capture. Test 82 was added to detect this issue in the future.
   - Increased the size of internal arrays in VIEWR.

src/acefc.f90

@@ -9585,15 +9585,15 @@ subroutine acelcp(next,matd,nin,za,awr)
                next=next+5
                do ie=1,2
                   xss(next)=2
-                  xss(next+1)=3
-                  xss(next+2)=-1
-                     xss(next+5)=0
-                  xss(next+8)=0
+                  xss(next+1)=3            ! three points in the cosine grid
+                  xss(next+2)=-1           ! three cosine values
                   xss(next+3)=one-one/100
-                  xss(next+6)=0
-                  xss(next+9)=0
                   xss(next+4)=1
+                  xss(next+5)=0            ! three pdf values
+                  xss(next+6)=0
                   xss(next+7)=200
+                  xss(next+8)=0            ! three cdf values
+                  xss(next+9)=0
                   xss(next+10)=1
                   next=next+11
                enddo

src/groupr.f90

@@ -42,8 +42,8 @@ module groupm
    ! - lfs8(i) points to the "level number" from mf8.
    ! - mlfs8(i) is calculated and corresponds to NJOY's assumption
    !   of the ground state or isomer number.
-   integer,parameter::maxr1=500
-   integer,parameter::maxr2=500
+   integer,parameter::maxr1=1000
+   integer,parameter::maxr2=10000
    integer::mf4(maxr1),mf6(maxr1),mf12(maxr1),mf13(maxr1),mf18(maxr1),&
      mf4r(6,maxr1),mf6p(6,maxr1),mf10f(maxr2),mf10s(maxr2),mf10i(maxr2),&
      lfs8(maxr2),mlfs8(maxr2)
@@ -6514,6 +6514,7 @@ subroutine getyld(e,enext,idis,yld,mat,mf,mt,lfs,itape)
    enext=tmp(7+2*nr)
   190 continue
    idis=0
+   if (allocated(yield)) deallocate(yield)
    allocate(yield(na))
    do i=1,na
       yield(i)=tmp(i)

src/moder.f90

@@ -54,12 +54,13 @@ subroutine moder
    integer::nin,nout,no,loop,i,nz,inout
    integer::matd,mend,ig,nk,ik,nb,nw
    integer::nscr,ninl,matl
+   integer,parameter::nbuf=1000000
    real(kr)::time
    character(105)::strng
    character(4)::hb(17)
    real(kr)::rb(17)
    equivalence(hb(1),rb(1))
-   real(kr)::a(5200)
+   real(kr),allocatable::a(:)
    real(kr)::z(20)
    character(4)::zc(20)
    equivalence(zc(1),z(1))
@@ -68,6 +69,8 @@ subroutine moder
    ninl=0
    matl=-2
 
+   allocate(a(nbuf)) ! deallocated automatically at end of subroutine
+
    !--read user input, initialize,
    !--and write output header.
    call timer(time)

src/reconr.f90

@@ -899,6 +899,7 @@ subroutine rdf2bw(nin,jnow,lrf,nro,naps,mode)
    real(kr),parameter::third=.333333333e0_kr
    real(kr),parameter::gxmin=1.0e-5_kr
    real(kr),parameter::zero=0
+   character::strng*60
    cwaven=sqrt(2*amassn*amu*ev)*1.e-12_kr/hbar
 
    !--check for energy-dependent scattering radius
@@ -948,9 +949,17 @@ subroutine rdf2bw(nin,jnow,lrf,nro,naps,mode)
          if (jj.gt.maxres) call error('rdf2bw',&
            'res storage exceeded',' ')
       enddo
+      ll=nint(res(jnow+2))
       nrs=nint(res(jnow+5))
+      ! some files are malformed and have a list record for l values without
+      ! resonances, issue a warning and move to the next l value
+      if (nrs.eq.0) then
+         write(strng,'(''nrs=0 for SLBW/MLBW and l='',i2)') ll
+         call mess('rdf2bw',strng,'malformed ENDF file, check evaluation')
+         jnow = jnow+6
+         cycle
+      end if
       ncyc=nint(res(jnow+4))/nrs
-      ll=nint(res(jnow+2))
       qx=res(jnow+1)
       lrx=nint(res(jnow+3))
       if (lrx.ne.0) then
@@ -3216,6 +3225,7 @@ subroutine csrmat(e,sigp)
    real(kr),parameter::four=4.0e0_kr
    real(kr),parameter::small=3.e-4_kr
    real(kr),parameter::zero=0
+   character::strng*60
    cwaven=sqrt(2*amassn*amu*ev)*1.e-12_kr/hbar
 
    !--doppler broadening not provided.
@@ -3252,9 +3262,17 @@ subroutine csrmat(e,sigp)
    !--loop over l states
    do l=1,nls
       inowb=inow
+      ll=nint(res(inow+2))
       nrs=nint(res(inow+5))
+      ! some files are malformed and have a list record for l values without
+      ! resonances, issue a warning and move to the next l value
+      if (nrs.eq.0) then
+         write(strng,'(''nrs=0 for Reich-Moore and l='',i2)') ll
+         call mess('csrmat',strng,'malformed ENDF file, check evaluation')
+         inow = inow+6
+         cycle
+      end if
       ncyc=nint(res(inow+4))/nrs
-      ll=nint(res(inow+2))
       apl=res(inow+1)
       rhoc=k*ap
       rho=k*ra

src/util.f90

@@ -179,14 +179,14 @@ subroutine openz(lun,new)
    integer::lun,new
    ! internals
    integer::nun
-   character::for*15,age*7,fn*6
+   character::for*15,age*7,fn*7
    logical::there
 
    nun=iabs(lun)
    if ((nun.ge.5.and.nun.le.7).or.nun.eq.0) return
-   if (nun.gt.99) call error('openz','illegal unit number.',' ')
+   if (nun.gt.999) call error('openz','illegal unit number.',' ')
    ! construct file name
-   write(fn,'(''tape'',i2)') nun
+   write(fn,'(''tape'',i0)') nun
    ! set format based on sign of unit number
    for='formatted'
    if (lun.lt.0) for='unformatted'
@@ -227,7 +227,7 @@ subroutine closz(lun)
 
    nun=iabs(lun)
    if (nun.lt.10) return
-   if (nun.gt.99) call error('closz','illegal unit number.',' ')
+   if (nun.gt.999) call error('closz','illegal unit number.',' ')
    close(nun)
    return
    end subroutine closz

src/vers.f90

@@ -3,6 +3,6 @@ module version
    ! These values are updated during the NJOY revision-control process.
    implicit none
    private
-   character(8),public::vers='2016.77'
-   character(8),public::vday='xxSep24'
+   character(8),public::vers='2016.78'
+   character(8),public::vday='03Feb25'
 end module version

tests/84/CMakeLists.txt

@@ -0,0 +1,12 @@
+configure_file("${CMAKE_CURRENT_SOURCE_DIR}/input"
+               "${CMAKE_CURRENT_BINARY_DIR}/input" COPYONLY )
+
+configure_file("${CMAKE_CURRENT_SOURCE_DIR}/referenceTape100"
+               "${CMAKE_CURRENT_BINARY_DIR}/referenceTape100" COPYONLY )
+
+configure_file("${RESOURCES}/n-001_H_002-ENDF8.0.endf"
+               "${CMAKE_CURRENT_BINARY_DIR}/tape20" COPYONLY )
+
+add_test( NAME "Test84"
+          COMMAND ${Python3_EXECUTABLE} "../execute.py"
+          WORKING_DIRECTORY "${CMAKE_CURRENT_BINARY_DIR}" )

tests/84/input

@@ -0,0 +1,8 @@
+-- read tape20 and reconstruct
+reconr
+20 100
+'reconstructed data' /
+128 /
+0.001 /
+0 /
+stop