line too long in DAMASK_spectral_solverPolarisation.f90, reordered curl calculation for clearer look, fixed test for Marc 2013
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@ -603,9 +603,9 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
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e = 0_pInt
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e = 0_pInt
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do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
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do k = 1_pInt, grid(3); do j = 1_pInt, grid(2); do i = 1_pInt, grid(1)
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e = e + 1_pInt
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e = e + 1_pInt
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residual_F(1:3,1:3,i,j,k) = math_mul3333xx33(math_invSym3333(materialpoint_dPdF(:,:,:,:,1,e) + C_scale), &
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residual_F(1:3,1:3,i,j,k) = &
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residual_F(1:3,1:3,i,j,k) - &
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math_mul3333xx33(math_invSym3333(materialpoint_dPdF(:,:,:,:,1,e) + C_scale), residual_F(1:3,1:3,i,j,k)
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math_mul33x33(F(1:3,1:3,i,j,k), &
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- math_mul33x33(F(1:3,1:3,i,j,k), &
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math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))) &
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math_mul3333xx33(C_scale,F_tau(1:3,1:3,i,j,k) - F(1:3,1:3,i,j,k) - math_I3))) &
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+ residual_F_tau(1:3,1:3,i,j,k)
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+ residual_F_tau(1:3,1:3,i,j,k)
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enddo; enddo; enddo
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enddo; enddo; enddo
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@ -659,32 +659,32 @@ real(pReal) function utilities_curlRMS()
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do k = 1_pInt, grid(3); do j = 1_pInt, grid(2);
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do k = 1_pInt, grid(3); do j = 1_pInt, grid(2);
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do i = 2_pInt, grid1Red - 1_pInt
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do i = 2_pInt, grid1Red - 1_pInt
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do l = 1_pInt, 3_pInt
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do l = 1_pInt, 3_pInt
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curl_fourier(l,1) = (field_fourier(i,j,k,l,3)*xi(2,i,j,k)&
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curl_fourier(l,1) = (+field_fourier(i,j,k,l,3)*xi(2,i,j,k)&
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-field_fourier(i,j,k,l,2)*xi(3,i,j,k))*TWOPIIMG
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-field_fourier(i,j,k,l,2)*xi(3,i,j,k))*TWOPIIMG
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curl_fourier(l,2) = (-field_fourier(i,j,k,l,3)*xi(1,i,j,k)&
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curl_fourier(l,2) = (+field_fourier(i,j,k,l,1)*xi(3,i,j,k)&
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+field_fourier(i,j,k,l,1)*xi(3,i,j,k) )*TWOPIIMG
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-field_fourier(i,j,k,l,3)*xi(1,i,j,k))*TWOPIIMG
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curl_fourier(l,3) = ( field_fourier(i,j,k,l,2)*xi(1,i,j,k)&
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curl_fourier(l,3) = (+field_fourier(i,j,k,l,2)*xi(1,i,j,k)&
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-field_fourier(i,j,k,l,1)*xi(2,i,j,k))*TWOPIIMG
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-field_fourier(i,j,k,l,1)*xi(2,i,j,k))*TWOPIIMG
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enddo
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enddo
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utilities_curlRMS = utilities_curlRMS + &
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utilities_curlRMS = utilities_curlRMS + &
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2.0_pReal*sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal)
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2.0_pReal*sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal)
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enddo
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enddo
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do l = 1_pInt, 3_pInt
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do l = 1_pInt, 3_pInt
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curl_fourier = (field_fourier(1,j,k,l,3)*xi(2,1,j,k)&
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curl_fourier = (+field_fourier(1,j,k,l,3)*xi(2,1,j,k)&
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-field_fourier(1,j,k,l,2)*xi(3,1,j,k))*TWOPIIMG
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-field_fourier(1,j,k,l,2)*xi(3,1,j,k))*TWOPIIMG
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curl_fourier = (-field_fourier(1,j,k,l,3)*xi(1,1,j,k)&
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curl_fourier = (+field_fourier(1,j,k,l,1)*xi(3,1,j,k)&
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+field_fourier(1,j,k,l,1)*xi(3,1,j,k) )*TWOPIIMG
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-field_fourier(1,j,k,l,3)*xi(1,1,j,k))*TWOPIIMG
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curl_fourier = ( field_fourier(1,j,k,l,2)*xi(1,1,j,k)&
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curl_fourier = (+field_fourier(1,j,k,l,2)*xi(1,1,j,k)&
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-field_fourier(1,j,k,l,1)*xi(2,1,j,k))*TWOPIIMG
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-field_fourier(1,j,k,l,1)*xi(2,1,j,k))*TWOPIIMG
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enddo
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enddo
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utilities_curlRMS = utilities_curlRMS + &
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utilities_curlRMS = utilities_curlRMS + &
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2.0_pReal*sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal)
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2.0_pReal*sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal)
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do l = 1_pInt, 3_pInt
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do l = 1_pInt, 3_pInt
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curl_fourier = ( field_fourier(grid1Red,j,k,l,3)*xi(2,grid1Red,j,k)&
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curl_fourier = (+field_fourier(grid1Red,j,k,l,3)*xi(2,grid1Red,j,k)&
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-field_fourier(grid1Red,j,k,l,2)*xi(3,grid1Red,j,k))*TWOPIIMG
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-field_fourier(grid1Red,j,k,l,2)*xi(3,grid1Red,j,k))*TWOPIIMG
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curl_fourier = (-field_fourier(grid1Red,j,k,l,3)*xi(1,grid1Red,j,k)&
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curl_fourier = (+field_fourier(grid1Red,j,k,l,1)*xi(3,grid1Red,j,k)&
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+field_fourier(grid1Red,j,k,l,1)*xi(3,grid1Red,j,k))*TWOPIIMG
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-field_fourier(grid1Red,j,k,l,3)*xi(1,grid1Red,j,k))*TWOPIIMG
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curl_fourier = ( field_fourier(grid1Red,j,k,l,2)*xi(1,grid1Red,j,k)&
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curl_fourier = (+field_fourier(grid1Red,j,k,l,2)*xi(1,grid1Red,j,k)&
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-field_fourier(grid1Red,j,k,l,1)*xi(2,grid1Red,j,k))*TWOPIIMG
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-field_fourier(grid1Red,j,k,l,1)*xi(2,grid1Red,j,k))*TWOPIIMG
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enddo
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enddo
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utilities_curlRMS = utilities_curlRMS + &
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utilities_curlRMS = utilities_curlRMS + &
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@ -92,8 +92,8 @@ class Marc(Solver):
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# Define options [see Marc Installation and Operation Guide, pp 23]
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# Define options [see Marc Installation and Operation Guide, pp 23]
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if int(release)>=2013:
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if int(release)>=2013:
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script = 'run_damask%s'%({False:'',True:'_'}[len(optimization)>0 or openMP])
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script = 'run_damask%s'%({False:'',True:'_'}[optimization!='' or openMP])
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script = 'run_damask%s%s'%({False:'',True:optimization}[len(optimization)>0],{False:'',True:'mp'}[openMP])
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script = script+'%s%s'%({False:'',True:optimization}[optimization!=''],{False:'',True:'mp'}[openMP])
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else:
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else:
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script = 'run_marc'
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script = 'run_marc'
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