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DAMASK_EICMD
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improved warning and error messages

This commit is contained in:
Martin Diehl 2014-06-18 09:10:16 +00:00
parent 1333921ed5
commit eaa3e32f21
3 changed files with 33 additions and 26 deletions
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2
code/IO.f90
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@ -1721,6 +1721,8 @@ subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
msg = 'found PETSc solver parameter' msg = 'found PETSc solver parameter'
case (42_pInt) case (42_pInt)
msg = 'parameter has no effect' msg = 'parameter has no effect'
case (43_pInt)
msg = 'main diagonal of C66 close to zero'
case (47_pInt) case (47_pInt)
msg = 'no valid parameter for FFTW, using FFTW_PATIENT' msg = 'no valid parameter for FFTW, using FFTW_PATIENT'
case (50_pInt) case (50_pInt)

13
code/lattice.f90
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@ -941,12 +941,13 @@ subroutine lattice_init
lattice_C66(6,6,section) = IO_floatValue(line,positions,2_pInt) lattice_C66(6,6,section) = IO_floatValue(line,positions,2_pInt)
case ('covera_ratio','c/a_ratio','c/a') case ('covera_ratio','c/a_ratio','c/a')
CoverA(section) = IO_floatValue(line,positions,2_pInt) CoverA(section) = IO_floatValue(line,positions,2_pInt)
if (CoverA(section) < 1.0_pReal .or. CoverA(section) > 2.0_pReal) call IO_error(206_pInt) ! checking physical significance of c/a
end select end select
endif endif
enddo enddo
do i = 1_pInt,Nphases do i = 1_pInt,Nphases
if (CoverA(i) < 1.0_pReal .or. CoverA(i) > 2.0_pReal &
.and. lattice_structure(i) == LATTICE_hex_ID) call IO_error(206_pInt) ! checking physical significance of c/a
call lattice_initializeStructure(i, CoverA(i)) call lattice_initializeStructure(i, CoverA(i))
enddo enddo
@ -995,7 +996,8 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
i,j, & i,j, &
myNslip, myNtwin myNslip, myNtwin
lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),lattice_C66(1:6,1:6,myPhase)) lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),&
lattice_C66(1:6,1:6,myPhase))
lattice_mu(myPhase) = 0.2_pReal *( lattice_C66(1,1,myPhase) & lattice_mu(myPhase) = 0.2_pReal *( lattice_C66(1,1,myPhase) &
- lattice_C66(1,2,myPhase) & - lattice_C66(1,2,myPhase) &
+ 3.0_pReal*lattice_C66(4,4,myPhase)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5 + 3.0_pReal*lattice_C66(4,4,myPhase)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
@ -1007,6 +1009,9 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
+ 2.0_pReal*lattice_C66(4,4,myPhase))! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5 + 2.0_pReal*lattice_C66(4,4,myPhase))! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
lattice_C3333(1:3,1:3,1:3,1:3,myPhase) = math_Voigt66to3333(lattice_C66(1:6,1:6,myPhase)) ! Literature data is Voigt lattice_C3333(1:3,1:3,1:3,1:3,myPhase) = math_Voigt66to3333(lattice_C66(1:6,1:6,myPhase)) ! Literature data is Voigt
lattice_C66(1:6,1:6,myPhase) = math_Mandel3333to66(lattice_C3333(1:3,1:3,1:3,1:3,myPhase)) ! DAMASK uses Mandel lattice_C66(1:6,1:6,myPhase) = math_Mandel3333to66(lattice_C3333(1:3,1:3,1:3,1:3,myPhase)) ! DAMASK uses Mandel
do i = 1_pInt, 6_pInt
if (abs(lattice_C66(i,i,myPhase))<tol_math_check) call IO_error(43_pInt,el=i,ip=myPhase)
enddo
select case(lattice_structure(myPhase)) select case(lattice_structure(myPhase))
@ -1080,7 +1085,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
do i = 1_pInt,myNslip ! assign slip system vectors do i = 1_pInt,myNslip ! assign slip system vectors
sd(1,i) = lattice_hex_systemSlip(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)] sd(1,i) = lattice_hex_systemSlip(1,i)*1.5_pReal ! direction [uvtw]->[3u/2 (u+2v)*sqrt(3)/2 w*(c/a)]
sd(2,i) = (lattice_hex_systemSlip(1,i)+2.0_pReal*lattice_hex_systemSlip(2,i))*& sd(2,i) = (lattice_hex_systemSlip(1,i)+2.0_pReal*lattice_hex_systemSlip(2,i))*&
(0.5_pReal*sqrt(3.0_pReal)) 0.5_pReal*sqrt(3.0_pReal)
sd(3,i) = lattice_hex_systemSlip(4,i)*CoverA sd(3,i) = lattice_hex_systemSlip(4,i)*CoverA
sn(1,i) = lattice_hex_systemSlip(5,i) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a)) sn(1,i) = lattice_hex_systemSlip(5,i) ! plane (hkil)->(h (h+2k)/sqrt(3) l/(c/a))
sn(2,i) = (lattice_hex_systemSlip(5,i)+2.0_pReal*lattice_hex_systemSlip(6,i))/sqrt(3.0_pReal) sn(2,i) = (lattice_hex_systemSlip(5,i)+2.0_pReal*lattice_hex_systemSlip(6,i))/sqrt(3.0_pReal)
@ -1089,7 +1094,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
do i = 1_pInt,myNtwin ! assign twin system vectors and shears do i = 1_pInt,myNtwin ! assign twin system vectors and shears
td(1,i) = lattice_hex_systemTwin(1,i)*1.5_pReal td(1,i) = lattice_hex_systemTwin(1,i)*1.5_pReal
td(2,i) = (lattice_hex_systemTwin(1,i)+2.0_pReal*lattice_hex_systemTwin(2,i))*& td(2,i) = (lattice_hex_systemTwin(1,i)+2.0_pReal*lattice_hex_systemTwin(2,i))*&
(0.5_pReal*sqrt(3.0_pReal)) 0.5_pReal*sqrt(3.0_pReal)
td(3,i) = lattice_hex_systemTwin(4,i)*CoverA td(3,i) = lattice_hex_systemTwin(4,i)*CoverA
tn(1,i) = lattice_hex_systemTwin(5,i) tn(1,i) = lattice_hex_systemTwin(5,i)
tn(2,i) = (lattice_hex_systemTwin(5,i)+2.0_pReal*lattice_hex_systemTwin(6,i))/sqrt(3.0_pReal) tn(2,i) = (lattice_hex_systemTwin(5,i)+2.0_pReal*lattice_hex_systemTwin(6,i))/sqrt(3.0_pReal)