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Fprettify fixes for several files (#291)
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* added new separation constraint

* changes

* new changes

* found the issue and meed to be fixed

* fixing

* fixed output mode

* Fixed the unit vectors

* adding slices

* adding slices corrections

* updated the addslices option

* Setting default options

* merge fix

* mulit US mesh for mphys wrapper

* Several fixes and adding test function

* Test for separation

* multi US mesh option in mphys

* doc update and slight tol adjustment for new test

* test update

* update aoa in ap

* update in ap

* jason file update

* test function fixes

* flake8 and black

* fixed the test option for new changes

* minnor fix

* commiting fprettify changes

* fixing flake errors

* minor Fixes and tests function

* tapenade files

* style fixes and tolerance update

* style fixes

* fprettify fixes

* option

* complex test

* changing variable names

* fprettify cahnge

* error fix

* tolerance update

* tolerance update

* removing multi US mesh

* removing separation formulation

* tapenade changes

* minor fixes

---------

Co-authored-by: Galen <[email protected]>
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@ArshSaja @gawng
ArshSaja and gawng authored Jun 27, 2023
1 parent f8943e6 commit 476a98e
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Showing 30 changed files with 386 additions and 192 deletions.
9 changes: 6 additions & 3 deletions src/ADT/adtLocalSearch.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -2327,11 +2327,14 @@ subroutine hessD2Hexa(xP, x1, x2, x3, x4, x5, x6, x7, x8, chi, hess, iErr)
hess(3, 3) = 2.0_realType * ((dxdzeta * dxdzeta) + (dydzeta * dydzeta) + (dzdzeta * dzdzeta))

hess(1, 2) = 2.0_realType * ((dxdksi * dxdeta) + (dydksi * dydeta) + (dzdksi * dzdeta) &
- ((xP(1) - x0) * d2xdksideta) - ((xP(2) - y0) * d2ydksideta) - ((xP(3) - z0) * d2zdksideta))
- ((xP(1) - x0) * d2xdksideta) - &
((xP(2) - y0) * d2ydksideta) - ((xP(3) - z0) * d2zdksideta))
hess(1, 3) = 2.0_realType * ((dxdksi * dxdzeta) + (dydksi * dydzeta) + (dzdksi * dzdzeta) &
- ((xP(1) - x0) * d2xdksidzeta) - ((xP(2) - y0) * d2ydksidzeta) - ((xP(3) - z0) * d2zdksidzeta))
- ((xP(1) - x0) * d2xdksidzeta) - &
((xP(2) - y0) * d2ydksidzeta) - ((xP(3) - z0) * d2zdksidzeta))
hess(2, 3) = 2.0_realType * ((dxdeta * dxdzeta) + (dydeta * dydzeta) + (dzdeta * dzdzeta) &
- ((xP(1) - x0) * d2xdetadzeta) - ((xP(2) - y0) * d2ydetadzeta) - ((xP(3) - z0) * d2zdetadzeta))
- ((xP(1) - x0) * d2xdetadzeta) - &
((xP(2) - y0) * d2ydetadzeta) - ((xP(3) - z0) * d2zdetadzeta))

hess(2, 1) = hess(1, 2)
hess(3, 1) = hess(1, 3)
Expand Down
3 changes: 2 additions & 1 deletion src/NKSolver/NKSolvers.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -3136,7 +3136,8 @@ subroutine physicalityCheckANK(lambdaP)
#ifndef USE_COMPLEX
ratio = (wvec_pointer(ii) / (dvec_pointer(ii) + eps)) * ANK_physLSTolTurb
#else
ratio = (real(wvec_pointer(ii)) / real(dvec_pointer(ii) + eps)) * real(ANK_physLSTolTurb)
ratio = (real(wvec_pointer(ii)) &
/ real(dvec_pointer(ii) + eps)) * real(ANK_physLSTolTurb)
#endif
! if the ratio is less than min step, the update is either
! in the positive direction, therefore we do not clip it,
Expand Down
36 changes: 24 additions & 12 deletions src/NKSolver/blockette.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -3158,7 +3158,8 @@ subroutine inviscidDissFluxScalar

ddw2 = w(i + 1, j, k, ivx) * w(i + 1, j, k, irho) - w(i, j, k, ivx) * w(i, j, k, irho)
fs = dis2 * ddw2 &
- dis4 * (w(i + 2, j, k, ivx) * w(i + 2, j, k, irho) - w(i - 1, j, k, ivx) * w(i - 1, j, k, irho) - three * ddw2)
- dis4 * (w(i + 2, j, k, ivx) * w(i + 2, j, k, irho) - &
w(i - 1, j, k, ivx) * w(i - 1, j, k, irho) - three * ddw2)

fw(i + 1, j, k, imx) = fw(i + 1, j, k, imx) + fs
fw(i, j, k, imx) = fw(i, j, k, imx) - fs
Expand All @@ -3167,7 +3168,8 @@ subroutine inviscidDissFluxScalar

ddw3 = w(i + 1, j, k, ivy) * w(i + 1, j, k, irho) - w(i, j, k, ivy) * w(i, j, k, irho)
fs = dis2 * ddw3 &
- dis4 * (w(i + 2, j, k, ivy) * w(i + 2, j, k, irho) - w(i - 1, j, k, ivy) * w(i - 1, j, k, irho) - three * ddw3)
- dis4 * (w(i + 2, j, k, ivy) * w(i + 2, j, k, irho) - &
w(i - 1, j, k, ivy) * w(i - 1, j, k, irho) - three * ddw3)

fw(i + 1, j, k, imy) = fw(i + 1, j, k, imy) + fs
fw(i, j, k, imy) = fw(i, j, k, imy) - fs
Expand All @@ -3176,7 +3178,8 @@ subroutine inviscidDissFluxScalar

ddw4 = w(i + 1, j, k, ivz) * w(i + 1, j, k, irho) - w(i, j, k, ivz) * w(i, j, k, irho)
fs = dis2 * ddw4 &
- dis4 * (w(i + 2, j, k, ivz) * w(i + 2, j, k, irho) - w(i - 1, j, k, ivz) * w(i - 1, j, k, irho) - three * ddw4)
- dis4 * (w(i + 2, j, k, ivz) * w(i + 2, j, k, irho) - &
w(i - 1, j, k, ivz) * w(i - 1, j, k, irho) - three * ddw4)

fw(i + 1, j, k, imz) = fw(i + 1, j, k, imz) + fs
fw(i, j, k, imz) = fw(i, j, k, imz) - fs
Expand All @@ -3185,7 +3188,8 @@ subroutine inviscidDissFluxScalar

ddw5 = (w(i + 1, j, k, irhoE) + P(i + 1, j, K)) - (w(i, j, k, irhoE) + P(i, j, k))
fs = dis2 * ddw5 &
- dis4 * ((w(i + 2, j, k, irhoE) + P(i + 2, j, k)) - (w(i - 1, j, k, irhoE) + P(i - 1, j, k)) - three * ddw5)
- dis4 * ((w(i + 2, j, k, irhoE) + P(i + 2, j, k)) - &
(w(i - 1, j, k, irhoE) + P(i - 1, j, k)) - three * ddw5)

fw(i + 1, j, k, irhoE) = fw(i + 1, j, k, irhoE) + fs
fw(i, j, k, irhoE) = fw(i, j, k, irhoE) - fs
Expand Down Expand Up @@ -3223,7 +3227,8 @@ subroutine inviscidDissFluxScalar

ddw2 = w(i, j + 1, k, ivx) * w(i, j + 1, k, irho) - w(i, j, k, ivx) * w(i, j, k, irho)
fs = dis2 * ddw2 &
- dis4 * (w(i, j + 2, k, ivx) * w(i, j + 2, k, irho) - w(i, j - 1, k, ivx) * w(i, j - 1, k, irho) - three * ddw2)
- dis4 * (w(i, j + 2, k, ivx) * w(i, j + 2, k, irho) - &
w(i, j - 1, k, ivx) * w(i, j - 1, k, irho) - three * ddw2)

fw(i, j + 1, k, imx) = fw(i, j + 1, k, imx) + fs
fw(i, j, k, imx) = fw(i, j, k, imx) - fs
Expand All @@ -3232,7 +3237,8 @@ subroutine inviscidDissFluxScalar

ddw3 = w(i, j + 1, k, ivy) * w(i, j + 1, k, irho) - w(i, j, k, ivy) * w(i, j, k, irho)
fs = dis2 * ddw3 &
- dis4 * (w(i, j + 2, k, ivy) * w(i, j + 2, k, irho) - w(i, j - 1, k, ivy) * w(i, j - 1, k, irho) - three * ddw3)
- dis4 * (w(i, j + 2, k, ivy) * w(i, j + 2, k, irho) - &
w(i, j - 1, k, ivy) * w(i, j - 1, k, irho) - three * ddw3)

fw(i, j + 1, k, imy) = fw(i, j + 1, k, imy) + fs
fw(i, j, k, imy) = fw(i, j, k, imy) - fs
Expand All @@ -3241,7 +3247,8 @@ subroutine inviscidDissFluxScalar

ddw4 = w(i, j + 1, k, ivz) * w(i, j + 1, k, irho) - w(i, j, k, ivz) * w(i, j, k, irho)
fs = dis2 * ddw4 &
- dis4 * (w(i, j + 2, k, ivz) * w(i, j + 2, k, irho) - w(i, j - 1, k, ivz) * w(i, j - 1, k, irho) - three * ddw4)
- dis4 * (w(i, j + 2, k, ivz) * w(i, j + 2, k, irho) - &
w(i, j - 1, k, ivz) * w(i, j - 1, k, irho) - three * ddw4)

fw(i, j + 1, k, imz) = fw(i, j + 1, k, imz) + fs
fw(i, j, k, imz) = fw(i, j, k, imz) - fs
Expand All @@ -3250,7 +3257,8 @@ subroutine inviscidDissFluxScalar

ddw5 = (w(i, j + 1, k, irhoE) + P(i, j + 1, k)) - (w(i, j, k, irhoE) + P(i, j, k))
fs = dis2 * ddw5 &
- dis4 * ((w(i, j + 2, k, irhoE) + P(i, j + 2, k)) - (w(i, j - 1, k, irhoE) + P(i, j - 1, k)) - three * ddw5)
- dis4 * ((w(i, j + 2, k, irhoE) + P(i, j + 2, k)) - &
(w(i, j - 1, k, irhoE) + P(i, j - 1, k)) - three * ddw5)

fw(i, j + 1, k, irhoE) = fw(i, j + 1, k, irhoE) + fs
fw(i, j, k, irhoE) = fw(i, j, k, irhoE) - fs
Expand Down Expand Up @@ -3288,7 +3296,8 @@ subroutine inviscidDissFluxScalar

ddw2 = w(i, j, k + 1, ivx) * w(i, j, k + 1, irho) - w(i, j, k, ivx) * w(i, j, k, irho)
fs = dis2 * ddw2 &
- dis4 * (w(i, j, k + 2, ivx) * w(i, j, k + 2, irho) - w(i, j, k - 1, ivx) * w(i, j, k - 1, irho) - three * ddw2)
- dis4 * (w(i, j, k + 2, ivx) * w(i, j, k + 2, irho) - &
w(i, j, k - 1, ivx) * w(i, j, k - 1, irho) - three * ddw2)

fw(i, j, k + 1, imx) = fw(i, j, k + 1, imx) + fs
fw(i, j, k, imx) = fw(i, j, k, imx) - fs
Expand All @@ -3297,7 +3306,8 @@ subroutine inviscidDissFluxScalar

ddw3 = w(i, j, k + 1, ivy) * w(i, j, k + 1, irho) - w(i, j, k, ivy) * w(i, j, k, irho)
fs = dis2 * ddw3 &
- dis4 * (w(i, j, k + 2, ivy) * w(i, j, k + 2, irho) - w(i, j, k - 1, ivy) * w(i, j, k - 1, irho) - three * ddw3)
- dis4 * (w(i, j, k + 2, ivy) * w(i, j, k + 2, irho) - &
w(i, j, k - 1, ivy) * w(i, j, k - 1, irho) - three * ddw3)

fw(i, j, k + 1, imy) = fw(i, j, k + 1, imy) + fs
fw(i, j, k, imy) = fw(i, j, k, imy) - fs
Expand All @@ -3306,7 +3316,8 @@ subroutine inviscidDissFluxScalar

ddw4 = w(i, j, k + 1, ivz) * w(i, j, k + 1, irho) - w(i, j, k, ivz) * w(i, j, k, irho)
fs = dis2 * ddw4 &
- dis4 * (w(i, j, k + 2, ivz) * w(i, j, k + 2, irho) - w(i, j, k - 1, ivz) * w(i, j, k - 1, irho) - three * ddw4)
- dis4 * (w(i, j, k + 2, ivz) * w(i, j, k + 2, irho) - &
w(i, j, k - 1, ivz) * w(i, j, k - 1, irho) - three * ddw4)

fw(i, j, k + 1, imz) = fw(i, j, k + 1, imz) + fs
fw(i, j, k, imz) = fw(i, j, k, imz) - fs
Expand All @@ -3315,7 +3326,8 @@ subroutine inviscidDissFluxScalar

ddw5 = (w(i, j, k + 1, irhoE) + P(i, j, k + 1)) - (w(i, j, k, irhoE) + P(i, j, k))
fs = dis2 * ddw5 &
- dis4 * ((w(i, j, k + 2, irhoE) + P(i, j, k + 2)) - (w(i, j, k - 1, irhoE) + P(i, j, k - 1)) - three * ddw5)
- dis4 * ((w(i, j, k + 2, irhoE) + P(i, j, k + 2)) - &
(w(i, j, k - 1, irhoE) + P(i, j, k - 1)) - three * ddw5)

fw(i, j, k + 1, irhoE) = fw(i, j, k + 1, irhoE) + fs
fw(i, j, k, irhoE) = fw(i, j, k, irhoE) - fs
Expand Down
6 changes: 4 additions & 2 deletions src/adjoint/adjointAPI.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,8 @@ module adjointAPI
contains
#ifndef USE_COMPLEX
subroutine computeMatrixFreeProductFwd(xvdot, extradot, wdot, bcDataValuesdot, useSpatial, &
useState, famLists, bcDataNames, bcDataValues, bcDataFamLists, bcVarsEmpty, dwdot, funcsDot, fDot, &
useState, famLists, bcDataNames, bcDataValues, &
bcDataFamLists, bcVarsEmpty, dwdot, funcsDot, fDot, &
costSize, fSize, nTime)

! This is the main matrix-free forward mode computation
Expand Down Expand Up @@ -901,7 +902,8 @@ subroutine setupPETScKsp
! linear system also serves as the preconditioning matrix. This
! is only valid if useMatrixFree is flase.
if (useMatrixfreedRdw) then
call terminate("setupPETScKSP", "useMatrixFreedRdW option cannot be true when the approxPC option is False")
call terminate("setupPETScKSP", &
"useMatrixFreedRdW option cannot be true when the approxPC option is False")
end if
call KSPSetOperators(adjointKSP, dRdWt, dRdWT, ierr)
call EChk(ierr, __FILE__, __LINE__)
Expand Down
6 changes: 4 additions & 2 deletions src/adjoint/adjointDebug.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -504,7 +504,8 @@ subroutine printADSeeds(nn, level, sps)
maxval(commPatternOverset(level, sps)%sendList(i)%interpd), &
norm2(commPatternOverset(level, sps)%sendList(i)%interpd)
end do sends
write (*, *) 'internalOverset(level, sps)%donorInterpd ', minval(internalOverset(level, sps)%donorInterpd), &
write (*, *) 'internalOverset(level, sps)%donorInterpd ', &
minval(internalOverset(level, sps)%donorInterpd), &
maxval(internalOverset(level, sps)%donorInterpd), &
norm2(internalOverset(level, sps)%donorInterpd)
end if
Expand Down Expand Up @@ -546,7 +547,8 @@ subroutine printADSeeds(nn, level, sps)
if (associated(cgnsDoms(iDom)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays)) then
do iDirichlet = 1, size(cgnsDoms(iDom)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays)
write (*, *) iDom, iBoco, iData, iDirichlet, 'dataArr(:) ' &
, cgnsDomsd(iDom)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays(iDirichlet)%dataArr(:)
, cgnsDomsd(iDom)%bocoInfo(iBoco)%dataSet(iData)% &
dirichletArrays(iDirichlet)%dataArr(:)
end do
end if
end do
Expand Down
42 changes: 28 additions & 14 deletions src/adjoint/adjointUtils.F90
View file
Original file line number Diff line number Diff line change
Expand Up @@ -331,7 +331,8 @@ subroutine setupStateResidualMatrix(matrix, useAD, usePC, useTranspose, &
do k = 0, kb
do j = 0, jb
do i = 0, ib
flowDoms(nn, level, sps2)%w(i, j, k, ll) = flowDoms(nn, 1, sps2)%wtmp(i, j, k, ll)
flowDoms(nn, level, sps2)%w(i, j, k, ll) = &
flowDoms(nn, 1, sps2)%wtmp(i, j, k, ll)
end do
end do
end do
Expand Down Expand Up @@ -452,7 +453,8 @@ subroutine setupStateResidualMatrix(matrix, useAD, usePC, useTranspose, &

if (buildCoarseMats) then
do lvl = 1, agmgLevels - 1
coarseCols(m, lvl + 1) = coarseOversetIndices(nn, lvl)%arr(m, i, j, k)
coarseCols(m, lvl + 1) = &
coarseOversetIndices(nn, lvl)%arr(m, i, j, k)
end do
end if
end do
Expand Down Expand Up @@ -488,28 +490,35 @@ subroutine setupStateResidualMatrix(matrix, useAD, usePC, useTranspose, &

if (buildCoarseMats) then
do lvl = 1, agmgLevels - 1
coarseRows(lvl + 1) = coarseIndices(nn, lvl)%arr(i + ii, j + jj, k + kk)
coarseRows(lvl + 1) = &
coarseIndices(nn, lvl)%arr(i + ii, j + jj, k + kk)
end do
end if

rowBlank: if (flowDoms(nn, level, sps)%iBlank(i + ii, j + jj, k + kk) == 1) then
rowBlank: if (flowDoms(nn, level, sps)% &
iBlank(i + ii, j + jj, k + kk) == 1) then

centerCell: if (ii == 0 .and. jj == 0 .and. kk == 0) then
useDiagPC: if (usePC .and. useDiagTSPC) then
! If we're doing the PC and we want
! to use TS diagonal form, only set
! values for on-time insintance
blk = flowDoms(nn, 1, sps)%dw_deriv(i + ii, j + jj, k + kk, &
lStart:lEnd, lStart:lEnd)
blk = flowDoms(nn, 1, sps)%dw_deriv(i + ii, &
j + jj, k + kk, &
lStart:lEnd, &
lStart:lEnd)
call setBlock(blk)
else
! Otherwise loop over spectral
! instances and set all.
do sps2 = 1, nTimeIntervalsSpectral
irow = flowDoms(nn, level, sps2)% &
globalCell(i + ii, j + jj, k + kk)
blk = flowDoms(nn, 1, sps2)%dw_deriv(i + ii, j + jj, k + kk, &
lStart:lEnd, lStart:lEnd)
globalCell(i + ii, &
j + jj, k + kk)
blk = flowDoms(nn, 1, sps2)% &
dw_deriv(i + ii, &
j + jj, k + kk, &
lStart:lEnd, lStart:lEnd)
call setBlock(blk)
end do
end if useDiagPC
Expand Down Expand Up @@ -892,9 +901,12 @@ subroutine allocDerivativeValues(level)
allocate (cgnsDomsd(nn)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays(nDirichlet))

do iDirichlet = 1, nDirichlet
nArray = size(cgnsDoms(nn)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays(iDirichlet)%dataArr)
allocate (cgnsDomsd(nn)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays(iDirichlet)%dataArr(nArray))
cgnsDomsd(nn)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays(iDirichlet)%dataArr(nArray) = zero
nArray = size(cgnsDoms(nn)%bocoInfo(iBoco)%dataSet(iData) &
%dirichletArrays(iDirichlet)%dataArr)
allocate (cgnsDomsd(nn)%bocoInfo(iBoco)% &
dataSet(iData)%dirichletArrays(iDirichlet)%dataArr(nArray))
cgnsDomsd(nn)%bocoInfo(iBoco)%dataSet(iData)% &
dirichletArrays(iDirichlet)%dataArr(nArray) = zero
end do
end if
end do
Expand Down Expand Up @@ -1049,8 +1061,10 @@ subroutine zeroADSeeds(nn, level, sps)
if (associated(cgnsDoms(iDom)%bocoInfo(iBoco)%dataSet)) then
do iData = 1, size(cgnsDoms(iDom)%bocoInfo(iBoco)%dataSet)
if (associated(cgnsDoms(iDom)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays)) then
do iDirichlet = 1, size(cgnsDoms(iDom)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays)
cgnsDomsd(iDom)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays(iDirichlet)%dataArr(:) = zero
do iDirichlet = 1, &
size(cgnsDoms(iDom)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays)
cgnsDomsd(iDom)%bocoInfo(iBoco)%dataSet(iData)%dirichletArrays(iDirichlet)%dataArr(:) &
= zero
end do
end if
end do
Expand Down
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