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line too long in DAMASK_spectral_solverPolarisation.f90, reordered curl calculation for clearer look, fixed test for Marc 2013

This commit is contained in:
Martin Diehl 2013-08-08 18:10:58 +00:00
parent 944bf61dba
commit 3bb5a5e7b5
3 changed files with 25 additions and 25 deletions
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8
code/DAMASK_spectral_solverPolarisation.f90
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@ -603,10 +603,10 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
e = 0_pInt e = 0_pInt
do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1) do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
e = e + 1_pInt e = e + 1_pInt
residual_F(1:3,1:3,i,j,k) = math_mul3333xx33(math_invSym3333(materialpoint_dPdF(:,:,:,:,1,e) + C_scale), & residual_F(1:3,1:3,i,j,k) = &
residual_F(1:3,1:3,i,j,k) - & math_mul3333xx33(math_invSym3333(materialpoint_dPdF(:,:,:,:,1,e) + C_scale), residual_F(1:3,1:3,i,j,k)
math_mul33x33(F(1:3,1:3,i,j,k), & - math_mul33x33(F(1:3,1:3,i,j,k), &
math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))) & math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))) &
+ residual_F_tau(1:3,1:3,i,j,k) + residual_F_tau(1:3,1:3,i,j,k)
enddo; enddo; enddo enddo; enddo; enddo

38
code/DAMASK_spectral_utilities.f90
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@ -567,7 +567,7 @@ subroutine utilities_fourierConvolution(fieldAim)
field_fourier(i,j,k, 1:3,1:3) = temp33_Complex field_fourier(i,j,k, 1:3,1:3) = temp33_Complex
enddo; enddo; enddo enddo; enddo; enddo
endif endif
field_fourier(1,1,1,1:3,1:3) = cmplx(fieldAim*real(product(grid),pReal),0.0_pReal,pReal) ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1 field_fourier(1,1,1,1:3,1:3) = cmplx(fieldAim*real(product(grid),pReal),0.0_pReal,pReal) ! singular point at xi=(0.0,0.0,0.0) i.e. i=j=k=1
end subroutine utilities_fourierConvolution end subroutine utilities_fourierConvolution
@ -659,33 +659,33 @@ real(pReal) function utilities_curlRMS()
do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do k = 1_pInt, grid(3); do j = 1_pInt, grid(2);
do i = 2_pInt, grid1Red - 1_pInt do i = 2_pInt, grid1Red - 1_pInt
do l = 1_pInt, 3_pInt do l = 1_pInt, 3_pInt
curl_fourier(l,1) = (field_fourier(i,j,k,l,3)*xi(2,i,j,k)& curl_fourier(l,1) = (+field_fourier(i,j,k,l,3)*xi(2,i,j,k)&
- field_fourier(i,j,k,l,2)*xi(3,i,j,k))*TWOPIIMG -field_fourier(i,j,k,l,2)*xi(3,i,j,k))*TWOPIIMG
curl_fourier(l,2) = (-field_fourier(i,j,k,l,3)*xi(1,i,j,k)& curl_fourier(l,2) = (+field_fourier(i,j,k,l,1)*xi(3,i,j,k)&
+field_fourier(i,j,k,l,1)*xi(3,i,j,k) )*TWOPIIMG -field_fourier(i,j,k,l,3)*xi(1,i,j,k))*TWOPIIMG
curl_fourier(l,3) = ( field_fourier(i,j,k,l,2)*xi(1,i,j,k)& curl_fourier(l,3) = (+field_fourier(i,j,k,l,2)*xi(1,i,j,k)&
-field_fourier(i,j,k,l,1)*xi(2,i,j,k) )*TWOPIIMG -field_fourier(i,j,k,l,1)*xi(2,i,j,k))*TWOPIIMG
enddo enddo
utilities_curlRMS = utilities_curlRMS + & utilities_curlRMS = utilities_curlRMS + &
2.0_pReal*sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal) 2.0_pReal*sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal)
enddo enddo
do l = 1_pInt, 3_pInt do l = 1_pInt, 3_pInt
curl_fourier = (field_fourier(1,j,k,l,3)*xi(2,1,j,k)& curl_fourier = (+field_fourier(1,j,k,l,3)*xi(2,1,j,k)&
- field_fourier(1,j,k,l,2)*xi(3,1,j,k))*TWOPIIMG -field_fourier(1,j,k,l,2)*xi(3,1,j,k))*TWOPIIMG
curl_fourier = (-field_fourier(1,j,k,l,3)*xi(1,1,j,k)& curl_fourier = (+field_fourier(1,j,k,l,1)*xi(3,1,j,k)&
+field_fourier(1,j,k,l,1)*xi(3,1,j,k) )*TWOPIIMG -field_fourier(1,j,k,l,3)*xi(1,1,j,k))*TWOPIIMG
curl_fourier = ( field_fourier(1,j,k,l,2)*xi(1,1,j,k)& curl_fourier = (+field_fourier(1,j,k,l,2)*xi(1,1,j,k)&
-field_fourier(1,j,k,l,1)*xi(2,1,j,k) )*TWOPIIMG -field_fourier(1,j,k,l,1)*xi(2,1,j,k))*TWOPIIMG
enddo enddo
utilities_curlRMS = utilities_curlRMS + & utilities_curlRMS = utilities_curlRMS + &
2.0_pReal*sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal) 2.0_pReal*sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal)
do l = 1_pInt, 3_pInt do l = 1_pInt, 3_pInt
curl_fourier = ( field_fourier(grid1Red,j,k,l,3)*xi(2,grid1Red,j,k)& curl_fourier = (+field_fourier(grid1Red,j,k,l,3)*xi(2,grid1Red,j,k)&
-field_fourier(grid1Red,j,k,l,2)*xi(3,grid1Red,j,k))*TWOPIIMG -field_fourier(grid1Red,j,k,l,2)*xi(3,grid1Red,j,k))*TWOPIIMG
curl_fourier = (-field_fourier(grid1Red,j,k,l,3)*xi(1,grid1Red,j,k)& curl_fourier = (+field_fourier(grid1Red,j,k,l,1)*xi(3,grid1Red,j,k)&
+field_fourier(grid1Red,j,k,l,1)*xi(3,grid1Red,j,k))*TWOPIIMG -field_fourier(grid1Red,j,k,l,3)*xi(1,grid1Red,j,k))*TWOPIIMG
curl_fourier = ( field_fourier(grid1Red,j,k,l,2)*xi(1,grid1Red,j,k)& curl_fourier = (+field_fourier(grid1Red,j,k,l,2)*xi(1,grid1Red,j,k)&
-field_fourier(grid1Red,j,k,l,1)*xi(2,grid1Red,j,k))*TWOPIIMG -field_fourier(grid1Red,j,k,l,1)*xi(2,grid1Red,j,k))*TWOPIIMG
enddo enddo
utilities_curlRMS = utilities_curlRMS + & utilities_curlRMS = utilities_curlRMS + &
2.0_pReal*sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal) 2.0_pReal*sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal)

4
lib/damask/solver/marc.py
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@ -92,8 +92,8 @@ class Marc(Solver):
# Define options [see Marc Installation and Operation Guide, pp 23] # Define options [see Marc Installation and Operation Guide, pp 23]
if int(release)>=2013: if int(release)>=2013:
script = 'run_damask%s'%({False:'',True:'_'}[len(optimization)>0 or openMP]) script = 'run_damask%s'%({False:'',True:'_'}[optimization!='' or openMP])
script = 'run_damask%s%s'%({False:'',True:optimization}[len(optimization)>0],{False:'',True:'mp'}[openMP]) script = script+'%s%s'%({False:'',True:optimization}[optimization!=''],{False:'',True:'mp'}[openMP])
else: else:
script = 'run_marc' script = 'run_marc'