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Fixes #381: Include irelco value and prevent negative std. dev. #382

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Fixes #381: Include irelco value and prevent negative std. dev. #382

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30 changes: 25 additions & 5 deletions src/errorr.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -1126,7 +1126,7 @@ subroutine gridd(neki)
if (iread.ne.1) then
allocate(ak(nmtmax*2,irmax))
endif
nwscr=1400000
nwscr=5000000
allocate(scr(nwscr))
neki=0
neni=0
Expand Down Expand Up @@ -1832,7 +1832,7 @@ subroutine covcal
if (mfcov.eq.35) then
namx=max(npage+6,ncovl)
else
namx=2000000
namx=5000000
endif
allocate(scr(namx))
mfd=3
Expand Down Expand Up @@ -5923,13 +5923,14 @@ subroutine musigc(ncg,ncm,nun,csig,cflx,b,egt,flux,sig,alp)
b(2)=awr
! pass iverf on to covr
b(3)=iverf
b(4)=0
b(4)=irelco
b(5)=-11
b(6)=0
call contio(0,nout,0,b,nb,nw)
b(1)=tempin
b(2)=0
b(3)=ngn
b(4)=0
nw=6
ngnp1=ngn+1
do i=1,ngnp1
Expand Down Expand Up @@ -6094,13 +6095,14 @@ subroutine fssigc(ncg,ncm,nun,csig,cflx,b,egt,flux,sig)
b(1)=za
b(2)=awr
b(3)=iverf
b(4)=0
b(4)=irelco
b(5)=-12
b(6)=0
call contio(0,nout,0,b,nb,nw)
b(1)=tempin
b(2)=0
b(3)=ngn
b(4)=0
nw=6
ngnp1=ngn+1
do i=1,ngnp1
Expand Down Expand Up @@ -7062,6 +7064,7 @@ subroutine covout
real(kr),dimension(:,:),allocatable::cova
real(kr),dimension(:,:),allocatable::alsig,clflx
real(kr),parameter::eps=1.e-20_kr
real(kr),parameter::epsvar0=5.0e-7_kr
real(kr),parameter::zero=0

!--allocate storage.
Expand Down Expand Up @@ -7564,6 +7567,22 @@ subroutine covout
endif
endif
endif
if (mfcov.eq.33.and.mth.eq.mts(ixp).and.(ig.eq.igp).and.&
& (mats(ixp).eq.0.or.math.eq.mats(ixp))) then
if (scr(ibase+ip).lt.zero) then
write(nsyse,*)
write(nsyse,'(a,i3,a,i5)') &
& ' ---message from covout--- negative variance for mt=',&
& mth,' in group=',ig
write(nsyse,'(27x,a,1pe11.3)')'var=',scr(ibase+ip)
if (irelco.ne.0) then
scr(ibase+ip)=epsvar0
else
scr(ibase+ip)=epsvar0*csig(ig,ix)*csig(ig,ix)
endif
write(nsyse,'(27x,a,1pe10.3)')'reset to ',scr(ibase+ip)
endif
endif
if (abs(scr(ibase+ip)).le.eps) then
if (ig2lo.eq.0) ip=ip-1
else
Expand Down Expand Up @@ -7819,14 +7838,15 @@ subroutine sigc(ncg,ncm,nun,csig,cflx,b,egt,flux,sig)
b(1)=za
b(2)=awr
b(3)=iverf
b(4)=0
b(4)=irelco
b(5)=-11
if (mfcov.eq.40) b(5)=-14
b(6)=0
call contio(0,nout,0,b,nb,nw)
b(1)=tempin
b(2)=0
b(3)=ngn
b(4)=0
nw=6
ngnp1=ngn+1
do i=1,ngnp1
Expand Down
32,147 changes: 16,074 additions & 16,073 deletions tests/01/referenceOutput
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2,823 changes: 1,417 additions & 1,406 deletions tests/02/referenceOutput
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Binary file modified tests/03/referenceOutput
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Binary file not shown.
102 changes: 48 additions & 54 deletions tests/04/referenceOutput
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Original file line number Diff line number Diff line change
@@ -1,40 +1,34 @@

njoy 2016.0 21Dec16 01/13/17 10:48:26
1*****************************************************************************
* * * *
* $$ $$ $$ $$$$$ $$ $$ * * vers: 2016.78 *
* $$$ $$ $$ $$$$$$$ $$ $$ * nuclear * vday: 03Feb25 *
* $$$$ $$ $$ $$ $$ $$$$ * data * site: lanl t2 *
* $$ $$$$ $$ $$ $$ $$ $$ * processing * mach: *
* $$ $$$ $$$$$$$ $$$$$$$ $$ * system * date: 08/25/25 *
* $$ $$ $$$$$ $$$$$ $$ * * time: 13:27:49 *
* * * *
*****************************************************************************

moder... 0.0s

reconr... 0.1s

errorr... 0.2s

processing mat 1395
---------------------
92-u -2350bnl eval-apr77 m.r.bhat

covariances calculated for 2 reactions and 9 groups 0.2s

groupr... 0.2s
moder...change the mode of an endf tape or njoy output tape 0.0s

---message from conver---cannot do complete particle production for mt= 16
only mf4/mf5 provided
input unit (+ for coded, - for bb) ... 20
output unit (+ for coded, - for bb) .. -21

---message from conver---cannot do complete particle production for mt= 17
only mf4/mf5 provided
tape label
--------------------------------------
endf/b-v tape 511 (standards materials)

---message from conver---cannot do complete particle production for mt= 91
only mf4/mf5 provided
using endf-5 format
0.1s
*****************************************************************************

errorr... 0.2s
reconr...reconstruct pointwise cross sections in pendf format 0.1s

processing mat 1395
---------------------
92-u -2350bnl eval-apr77 m.r.bhat
unit for endf tape ................... -21
unit for pendf tape .................. -22

covariances calculated for 1 reactions and 15 groups 0.2s
0.2s
*****************************************************************************
------------------------------------------------------------------
label for pendf tape
------------------------------------------------------------------
u-235 10% pendf for errorr test problem from t511

tape label
Expand Down Expand Up @@ -110,10 +104,10 @@
points affected by resonance integral check = 0
final number of resonance points = 1729
number of points in final unionized grid = 2585
0.2s
0.1s
*****************************************************************************

errorr...produce cross section covariances 0.2s
errorr...produce cross section covariances 0.1s

unit for endf tape ................... -21
unit for pendf tape .................. -22
Expand All @@ -122,7 +116,7 @@
unit for input covariance tape ....... 0
unit for ratio-to-standard tape ...... 0
material to be processed ............. 1395
neutron group option ................. 19
neutron group option ................. -1
weight function option ............... 3
print option (0 min, 1 max) .......... 1
rel. cov. option (0 abs, 1 rel) ...... 1
Expand Down Expand Up @@ -153,18 +147,18 @@
8 2.00000E+02 - 4.00000E+02
9 4.00000E+02 - 1.00000E+03

computing multigroup cross sections 0.2s
computing multigroup cross sections 0.1s

weight function......1/e for all l

group averaging completed 0.2s
group averaging completed 0.1s


processing mat 1395
---------------------
92-u -2350bnl eval-apr77 m.r.bhat

covariances calculated for 2 reactions and 9 groups 0.2s
covariances calculated for 2 reactions and 9 groups 0.1s

table of multigroup cross sections

Expand All @@ -181,7 +175,7 @@
8 2.0000E+02 6.9316E-01 1.7186E+01 8.1274E+00
9 4.0000E+02 9.1631E-01 1.1584E+01 4.7372E+00

relative covariance ( mt 18 , ig , mt 18 , igp ) 0.2s
relative covariance ( mt 18 , ig , mt 18 , igp ) 0.1s

ig igp +0 +1 +2
--- --- ---- ---- ----
Expand All @@ -204,11 +198,11 @@
9 1 4.000E-04 4.000E-04 5.998E-04 5.998E-04 7.001E-04 8.999E-04
9 7 8.999E-04 8.999E-04 9.998E-04

relative covariance ( mt 18 , ig , mt102 , igp ) 0.2s
relative covariance ( mt 18 , ig , mt102 , igp ) 0.1s

zero

relative covariance ( mt102 , ig , mt102 , igp ) 0.2s
relative covariance ( mt102 , ig , mt102 , igp ) 0.1s

ig igp +0 +1 +2
--- --- ---- ---- ----
Expand All @@ -230,10 +224,10 @@
8 7 5.000E-03 6.400E-03 5.000E-03
9 1 2.500E-03 2.500E-03 2.500E-03 2.500E-03 2.500E-03 2.500E-03
9 7 5.000E-03 5.000E-03 6.400E-03
0.2s
0.1s
*****************************************************************************

groupr...compute self-shielded group-averaged cross-sections 0.2s
groupr...compute self-shielded group-averaged cross-sections 0.1s

unit for endf tape ................... -21
unit for pendf tape .................. -22
Expand All @@ -245,6 +239,7 @@
weight function option ............... 3
legendre order ....................... 0
print option (0 min, 1 max) .......... 1
smoothing option (0 off, 1 on) ....... 1

run title
--------------------------------------
Expand Down Expand Up @@ -303,7 +298,7 @@



group constants at t=zero deg k 0.2s
group constants at t=zero deg k 0.1s
for mf 3 and mt452 total nubar

enrgy group constants at
Expand Down Expand Up @@ -340,10 +335,10 @@
29 4.43317+0
30 4.67845+0

0.2s
0.1s
*****************************************************************************

errorr...produce cross section covariances 0.2s
errorr...produce cross section covariances 0.1s

unit for endf tape ................... -21
unit for pendf tape .................. 0
Expand Down Expand Up @@ -371,14 +366,13 @@
using errorj resonance method

neutron group structure......read in

1 1.00000E+00 - 1.00000E+01
2 1.00000E+01 - 1.00000E+02
3 1.00000E+02 - 1.00000E+03
4 1.00000E+03 - 1.00000E+04
5 1.00000E+04 - 1.00000E+05
6 1.00000E+05 - 1.00000E+06
7 1.00000E+06 - 1.00000E+07
1 1.00000E+00 - 1.00000E+01
2 1.00000E+01 - 1.00000E+02
3 1.00000E+02 - 1.00000E+03
4 1.00000E+03 - 1.00000E+04
5 1.00000E+04 - 1.00000E+05
6 1.00000E+05 - 1.00000E+06
7 1.00000E+06 - 1.00000E+07

union structure has 15 groups

Expand All @@ -404,7 +398,7 @@
---------------------
92-u -2350bnl eval-apr77 m.r.bhat

covariances calculated for 1 reactions and 15 groups 0.2s
covariances calculated for 1 reactions and 15 groups 0.1s

table of multigroup cross sections

Expand All @@ -419,7 +413,7 @@
6 1.0000E+05 2.3867E+00 2.4707E+00
7 1.0000E+06 2.3314E+00 2.9171E+00

relative covariance ( mt452 , ig , mt452 , igp ) 0.2s
relative covariance ( mt452 , ig , mt452 , igp ) 0.1s

ig igp +0 +1 +2
--- --- ---- ---- ----
Expand All @@ -437,5 +431,5 @@
6 7 2.806E-05
7 1 2.775E-05 2.775E-05 2.784E-05 2.784E-05 2.784E-05 2.806E-05
7 7 3.145E-05
0.2s
0.1s
*****************************************************************************
2 changes: 1 addition & 1 deletion tests/04/referenceTape23
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Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
0 0 0 0
9.223500+4 2.330250+2 5 0 -11 01395 1451 1
9.223500+4 2.330250+2 5 1 -11 01395 1451 1
0.000000+0 0.000000+0 9 0 10 01395 1451 2
1.000000+0 1.800000+0 5.000000+0 1.000000+1 2.000000+1 4.000000+11395 1451 3
8.000000+1 2.000000+2 4.000000+2 1.000000+3 1395 1451 4
Expand Down
4 changes: 2 additions & 2 deletions tests/04/referenceTape25
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Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
0 0 0 0
9.223500+4 2.330250+2 5 0 -11 01395 1451 1
9.223500+4 2.330250+2 5 1 -11 01395 1451 1
0.000000+0 0.000000+0 9 0 10 01395 1451 2
1.000000+0 1.800000+0 5.000000+0 1.000000+1 2.000000+1 4.000000+11395 1451 3
8.000000+1 2.000000+2 4.000000+2 1.000000+3 1395 1451 4
Expand Down Expand Up @@ -79,7 +79,7 @@
139533 0 78
1395 0 0 79
0 0 0 80
9.223500+4 2.330250+2 5 0 -11 01395 1451 81
9.223500+4 2.330250+2 5 1 -11 01395 1451 81
0.000000+0 0.000000+0 7 0 8 01395 1451 82
1.000000+0 1.000000+1 1.000000+2 1.000000+3 1.000000+4 1.000000+51395 1451 83
1.000000+6 1.000000+7 1395 1451 84
Expand Down
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