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DAMASK_EICMD
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use Fortran internals for error handling

This commit is contained in:
Martin Diehl 2020-11-11 15:57:05 +01:00
parent 3dd5eaf1c1
commit cd7ada0da9
5 changed files with 8 additions and 13 deletions
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4
src/IO.f90
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@ -463,10 +463,6 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
!--------------------------------------------------------------------------------------------------
! math errors
case (400)
msg = 'matrix inversion error'
case (401)
msg = 'error in Eigenvalue calculation'
case (402)
msg = 'invalid orientation specified'

3
src/grid/spectral_utilities.f90
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@ -713,7 +713,6 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
allocate(s_reduced,mold = c_reduced)
call math_invert(s_reduced, errmatinv, c_reduced) ! invert reduced stiffness
if (any(IEEE_is_NaN(s_reduced))) errmatinv = .true.
if (errmatinv) call IO_error(error_ID=400,ext_msg='utilities_maskedCompliance')
!--------------------------------------------------------------------------------------------------
! check if inversion was successful
@ -725,7 +724,7 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
write(IO_STDOUT,trim(formatString),advance='no') ' C * S (load) ', &
transpose(matmul(c_reduced,s_reduced))
write(IO_STDOUT,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
if(errmatinv) call IO_error(error_ID=400,ext_msg='utilities_maskedCompliance')
if(errmatinv) error stop 'matrix inversion error'
endif
temp99_real = reshape(unpack(reshape(s_reduced,[size_reduced**2]),reshape(mask,[81]),0.0_pReal),[9,9])
else

8
src/lattice.f90
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@ -2209,11 +2209,11 @@ function equivalent_nu(C,assumption) result(nu)
/ 9.0_pReal
elseif(IO_lc(assumption) == 'reuss') then
call math_invert(S,error,C)
if(error) call IO_error(0)
if(error) error stop 'matrix inversion failed'
K = 1.0_pReal &
/ (S(1,1)+S(2,2)+S(3,3) +2.0_pReal*(S(1,2)+S(2,3)+S(1,3)))
else
call IO_error(0)
error stop 'invalid assumption'
K = 0.0_pReal
endif
@ -2241,11 +2241,11 @@ function equivalent_mu(C,assumption) result(mu)
/ 15.0_pReal
elseif(IO_lc(assumption) == 'reuss') then
call math_invert(S,error,C)
if(error) call IO_error(0)
if(error) error stop 'matrix inversion failed'
mu = 15.0_pReal &
/ (4.0_pReal*(S(1,1)+S(2,2)+S(3,3)) -4.0_pReal*(S(1,2)+S(2,3)+S(1,3)) +3.0_pReal*(S(4,4)+S(5,5)+S(6,6)))
else
call IO_error(0)
error stop 'invalid assumption'
mu = 0.0_pReal
endif

2
src/math.f90
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@ -499,7 +499,7 @@ function math_invSym3333(A)
call dgetrf(6,6,temp66,6,ipiv6,ierr_i)
call dgetri(6,temp66,6,ipiv6,work,size(work,1),ierr_f)
if (ierr_i /= 0 .or. ierr_f /= 0) then
call IO_error(400, ext_msg = 'math_invSym3333')
error stop 'matrix inversion error'
else
math_invSym3333 = math_66toSym3333(temp66)
endif

4
src/rotations.f90
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@ -640,13 +640,13 @@ function om2ax(om) result(ax)
ax(1:3) = [ 0.0_pReal, 0.0_pReal, 1.0_pReal ]
else
call dgeev('N','V',3,om_,3,Wr,Wi,devNull,3,VR,3,work,size(work,1),ierr)
if (ierr /= 0) call IO_error(401,ext_msg='Error in om2ax: DGEEV return not zero')
if (ierr /= 0) error stop 'LAPACK error'
#if defined(__GFORTRAN__) && __GNUC__<9 || defined(__INTEL_COMPILER) && INTEL_COMPILER<1800 || defined(__PGI)
i = maxloc(merge(1,0,cEq(cmplx(Wr,Wi,pReal),cmplx(1.0_pReal,0.0_pReal,pReal),tol=1.0e-14_pReal)),dim=1)
#else
i = findloc(cEq(cmplx(Wr,Wi,pReal),cmplx(1.0_pReal,0.0_pReal,pReal),tol=1.0e-14_pReal),.true.,dim=1) !find eigenvalue (1,0)
#endif
if (i == 0) call IO_error(401,ext_msg='Error in om2ax Real: eigenvalue not found')
if (i == 0) error stop 'om2ax conversion failed'
ax(1:3) = VR(1:3,i)
where ( dNeq0([om(2,3)-om(3,2), om(3,1)-om(1,3), om(1,2)-om(2,1)])) &
ax(1:3) = sign(ax(1:3),-P *[om(2,3)-om(3,2), om(3,1)-om(1,3), om(1,2)-om(2,1)])