223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Merge remote-tracking branch 'origin/development' into initial-eigenstrain

This commit is contained in:
Martin Diehl 2021-11-12 08:46:50 +01:00
parent 1038abd1a3 e8d2281bb5
commit aa6efd21cd
7 changed files with 60 additions and 57 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
.gitlab-ci.yml
View File

@ -52,8 +52,8 @@ variables:
MPI_Intel: "MPI/Intel/19.1.2/IntelMPI/2019"
MPI_GNU: "MPI/GNU/10/OpenMPI/4.1.1"
# ++++++++++++ PETSc ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
PETSc_Intel: "Libraries/PETSc/3.16.0/Intel-19.1.2-IntelMPI-2019"
PETSc_GNU: "Libraries/PETSc/3.16.0/GNU-10-OpenMPI-4.1.1"
PETSc_Intel: "Libraries/PETSc/3.16.1/Intel-19.1.2-IntelMPI-2019"
PETSc_GNU: "Libraries/PETSc/3.16.1/GNU-10-OpenMPI-4.1.1"
# ++++++++++++ MSC Marc +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
MSC: "FEM/MSC/2021.2"
IntelMarc: "Compiler/Intel/19.1.2 Libraries/IMKL/2020"

2
PRIVATE

@ -1 +1 @@
Subproject commit 62be3aa392eb17cd553041996c6315e47ea3b83c
Subproject commit 686e7e3669e21a7ed92da7c989dac55b73949b05

2
examples/config/phase/W.yaml
View File

@ -1,4 +1,4 @@
references:
- https://en.wikipedia.org/wiki/Tungsten
lattice: cF
lattice: cI
rho: 19300.0

2
python/damask/VERSION
View File

@ -1 +1 @@
v3.0.0-alpha5-64-g8e08af31e
v3.0.0-alpha5-72-g8138d3a18

81
src/grid/discretization_grid.f90
View File

@ -75,7 +75,7 @@ subroutine discretization_grid_init(restart)
print'(/,a)', ' <<<+- discretization_grid init -+>>>'; flush(IO_STDOUT)
if(worldrank == 0) then
if (worldrank == 0) then
fileContent = IO_read(interface_geomFile)
call readVTI(grid,geomSize,origin,materialAt_global,fileContent)
fname = interface_geomFile
@ -85,7 +85,7 @@ subroutine discretization_grid_init(restart)
call results_closeJobFile
else
allocate(materialAt_global(0)) ! needed for IntelMPI
endif
end if
call MPI_Bcast(grid,3,MPI_INTEGER,0,MPI_COMM_WORLD, ierr)
@ -100,7 +100,7 @@ subroutine discretization_grid_init(restart)
print'(a,3(es12.5))', ' size x y z: ', geomSize
print'(a,3(es12.5))', ' origin x y z: ', origin
if(worldsize>grid(3)) call IO_error(894, ext_msg='number of processes exceeds grid(3)')
if (worldsize>grid(3)) call IO_error(894, ext_msg='number of processes exceeds grid(3)')
call fftw_mpi_init
devNull = fftw_mpi_local_size_3d(int(grid(3),C_INTPTR_T), &
@ -109,7 +109,7 @@ subroutine discretization_grid_init(restart)
PETSC_COMM_WORLD, &
z, & ! domain grid size along z
z_offset) ! domain grid offset along z
if(z==0_C_INTPTR_T) call IO_error(894, ext_msg='Cannot distribute MPI processes')
if (z==0_C_INTPTR_T) call IO_error(894, ext_msg='Cannot distribute MPI processes')
grid3 = int(z)
grid3Offset = int(z_offset)
@ -136,14 +136,14 @@ subroutine discretization_grid_init(restart)
!--------------------------------------------------------------------------------------------------
! store geometry information for post processing
if(.not. restart) then
if (.not. restart) then
call results_openJobFile
call results_closeGroup(results_addGroup('geometry'))
call results_addAttribute('cells', grid, '/geometry')
call results_addAttribute('size', geomSize,'/geometry')
call results_addAttribute('origin',origin, '/geometry')
call results_closeJobFile
endif
end if
!--------------------------------------------------------------------------------------------------
! geometry information required by the nonlocal CP model
@ -202,20 +202,20 @@ subroutine readVTI(grid,geomSize,origin,material, &
if (endPos < startPos) endPos = len(fileContent,kind=pI64) ! end of file without new line
if (.not. inFile) then
if(index(fileContent(startPos:endPos),'<VTKFile',kind=pI64) /= 0_pI64) then
if (index(fileContent(startPos:endPos),'<VTKFile',kind=pI64) /= 0_pI64) then
inFile = .true.
if (.not. fileFormatOk(fileContent(startPos:endPos))) call IO_error(error_ID = 844, ext_msg='file format')
headerType = merge('UInt64','UInt32',getXMLValue(fileContent(startPos:endPos),'header_type')=='UInt64')
compressed = getXMLValue(fileContent(startPos:endPos),'compressor') == 'vtkZLibDataCompressor'
endif
end if
else
if (.not. inImage) then
if (index(fileContent(startPos:endPos),'<ImageData',kind=pI64) /= 0_pI64) then
inImage = .true.
call cellsSizeOrigin(grid,geomSize,origin,fileContent(startPos:endPos))
endif
end if
else
if (index(fileContent(startPos:endPos),'<CellData>',kind=pI64) /= 0_pI64) then
if (index(fileContent(startPos:endPos),'<CellData',kind=pI64) /= 0_pI64) then
gotCellData = .true.
do while (index(fileContent(startPos:endPos),'</CellData>',kind=pI64) == 0_pI64)
if (index(fileContent(startPos:endPos),'<DataArray',kind=pI64) /= 0_pI64 .and. &
@ -230,25 +230,25 @@ subroutine readVTI(grid,geomSize,origin,material, &
s = startPos + verify(fileContent(startPos:endPos),IO_WHITESPACE,kind=pI64) -1_pI64 ! start (no leading whitespace)
material = as_Int(fileContent(s:endPos),headerType,compressed,dataType)
exit
endif
end if
startPos = endPos + 2_pI64
endPos = startPos + index(fileContent(startPos:),IO_EOL,kind=pI64) - 2_pI64
enddo
endif
endif
endif
end do
end if
end if
end if
if (gotCellData) exit
startPos = endPos + 2_pI64
enddo
end do
if(.not. allocated(material)) call IO_error(error_ID = 844, ext_msg='material data not found')
if(size(material) /= product(grid)) call IO_error(error_ID = 844, ext_msg='size(material)')
if(any(geomSize<=0)) call IO_error(error_ID = 844, ext_msg='size')
if(any(grid<1)) call IO_error(error_ID = 844, ext_msg='grid')
if (.not. allocated(material)) call IO_error(error_ID = 844, ext_msg='material data not found')
if (size(material) /= product(grid)) call IO_error(error_ID = 844, ext_msg='size(material)')
if (any(geomSize<=0)) call IO_error(error_ID = 844, ext_msg='size')
if (any(grid<1)) call IO_error(error_ID = 844, ext_msg='grid')
material = material + 1
if(any(material<1)) call IO_error(error_ID = 844, ext_msg='material ID < 0')
if (any(material<1)) call IO_error(error_ID = 844, ext_msg='material ID < 0')
contains
@ -352,11 +352,11 @@ subroutine readVTI(grid,geomSize,origin,material, &
integer(C_SIGNED_CHAR), dimension(:), allocatable :: bytes
if(compressed) then
if (compressed) then
bytes = asBytes_compressed(base64_str,headerType)
else
bytes = asBytes_uncompressed(base64_str,headerType)
endif
end if
end function asBytes
@ -379,17 +379,18 @@ subroutine readVTI(grid,geomSize,origin,material, &
integer(pI64), dimension(:), allocatable :: temp, size_inflated, size_deflated
integer(pI64) :: headerLen, nBlock, b,s,e
if (headerType == 'UInt32') then
if (headerType == 'UInt32') then
temp = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(:base64_nChar(4_pI64)))),pI64)
nBlock = int(temp(1),pI64)
headerLen = 4_pI64 * (3_pI64 + nBlock)
temp = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64)
elseif(headerType == 'UInt64') then
else if (headerType == 'UInt64') then
temp = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(:base64_nChar(8_pI64)))),pI64)
nBlock = int(temp(1),pI64)
headerLen = 8_pI64 * (3_pI64 + nBlock)
temp = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(:base64_nChar(headerLen)))),pI64)
endif
end if
allocate(size_inflated(nBlock),source=temp(2))
size_inflated(nBlock) = merge(temp(3),temp(2),temp(3)/=0_pI64)
@ -402,7 +403,7 @@ subroutine readVTI(grid,geomSize,origin,material, &
s = e + 1_pI64
e = s + size_deflated(b) - 1_pI64
bytes(sum(size_inflated(:b-1))+1_pI64:sum(size_inflated(:b))) = zlib_inflate(bytes_inflated(s:e),size_inflated(b))
enddo
end do
end function asBytes_compressed
@ -424,19 +425,19 @@ subroutine readVTI(grid,geomSize,origin,material, &
allocate(bytes(0))
s=0_pI64
if (headerType == 'UInt32') then
if (headerType == 'UInt32') then
do while(s+base64_nChar(4_pI64)<(len(base64_str,pI64)))
nByte = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(4_pI64)))),pI64)
bytes = [bytes,base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(4_pI64+nByte(1))),5_pI64)]
s = s + base64_nChar(4_pI64+nByte(1))
enddo
elseif(headerType == 'UInt64') then
end do
else if (headerType == 'UInt64') then
do while(s+base64_nChar(8_pI64)<(len(base64_str,pI64)))
nByte = int(prec_bytesToC_INT64_T(base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(8_pI64)))),pI64)
bytes = [bytes,base64_to_bytes(base64_str(s+1_pI64:s+base64_nChar(8_pI64+nByte(1))),9_pI64)]
s = s + base64_nChar(8_pI64+nByte(1))
enddo
endif
end do
end if
end function asBytes_uncompressed
@ -455,11 +456,11 @@ subroutine readVTI(grid,geomSize,origin,material, &
#endif
s = index(line," "//key,back=.true.)
if(s==0) then
if (s==0) then
getXMLValue = ''
else
e = s + 1 + scan(line(s+1:),"'"//'"')
if(scan(line(s:e-2),'=') == 0) then
if (scan(line(s:e-2),'=') == 0) then
getXMLValue = ''
else
s = e
@ -471,8 +472,8 @@ subroutine readVTI(grid,geomSize,origin,material, &
e = s + index(line(s:),merge("'",'"',line(s-1:s-1)=="'")) - 1
#endif
getXMLValue = line(s:e-1)
endif
endif
end if
end if
end function
@ -510,11 +511,12 @@ function IPcoordinates0(grid,geomSize,grid3Offset)
a,b,c, &
i
i = 0
do c = 1, grid(3); do b = 1, grid(2); do a = 1, grid(1)
i = i + 1
IPcoordinates0(1:3,i) = geomSize/real(grid,pReal) * (real([a,b,grid3Offset+c],pReal) -0.5_pReal)
enddo; enddo; enddo
end do; end do; end do
end function IPcoordinates0
@ -538,7 +540,7 @@ pure function nodes0(grid,geomSize,grid3Offset)
do c = 0, grid3; do b = 0, grid(2); do a = 0, grid(1)
n = n + 1
nodes0(1:3,n) = geomSize/real(grid,pReal) * real([a,b,grid3Offset+c],pReal)
enddo; enddo; enddo
end do; end do; end do
end function nodes0
@ -553,6 +555,7 @@ pure function cellSurfaceArea(geomSize,grid)
real(pReal), dimension(6,1,product(grid)) :: cellSurfaceArea
cellSurfaceArea(1:2,1,:) = geomSize(2)/real(grid(2)) * geomSize(3)/real(grid(3))
cellSurfaceArea(3:4,1,:) = geomSize(3)/real(grid(3)) * geomSize(1)/real(grid(1))
cellSurfaceArea(5:6,1,:) = geomSize(1)/real(grid(1)) * geomSize(2)/real(grid(2))
@ -631,7 +634,7 @@ pure function IPneighborhood(grid)
IPneighborhood(3,5,1,e) = 6
IPneighborhood(3,6,1,e) = 5
enddo; enddo; enddo
end do; end do; end do
end function IPneighborhood

10
src/mesh/FEM_utilities.f90
View File

@ -123,9 +123,7 @@ subroutine FEM_utilities_init
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type newtonls &
&-mechanical_snes_linesearch_type cp -mechanical_snes_ksp_ew &
&-mechanical_snes_ksp_ew_rtol0 0.01 -mechanical_snes_ksp_ew_rtolmax 0.01 &
&-mechanical_ksp_type fgmres -mechanical_ksp_max_it 25 &
&-mechanical_pc_type ml -mechanical_mg_levels_ksp_type chebyshev &
&-mechanical_mg_levels_pc_type sor -mechanical_pc_ml_nullspace user',ierr)
&-mechanical_ksp_type fgmres -mechanical_ksp_max_it 25', ierr)
CHKERRQ(ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_mesh%get_asString('PETSc_options',defaultVal=''),ierr)
CHKERRQ(ierr)
@ -151,6 +149,7 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
PetscErrorCode :: ierr
print'(/,a)', ' ... evaluating constitutive response ......................................'
call homogenization_mechanical_response(timeinc,[1,mesh_maxNips],[1,mesh_NcpElems]) ! calculate P field
@ -178,6 +177,7 @@ subroutine utilities_projectBCValues(localVec,section,field,comp,bcPointsIS,BCVa
PetscScalar :: BCValue,BCDotValue,timeinc
PetscErrorCode :: ierr
call PetscSectionGetFieldComponents(section,field,numComp,ierr); CHKERRQ(ierr)
call ISGetSize(bcPointsIS,nBcPoints,ierr); CHKERRQ(ierr)
if (nBcPoints > 0) call ISGetIndicesF90(bcPointsIS,bcPoints,ierr)
@ -189,8 +189,8 @@ subroutine utilities_projectBCValues(localVec,section,field,comp,bcPointsIS,BCVa
CHKERRQ(ierr)
do dof = offset+comp+1, offset+numDof, numComp
localArray(dof) = localArray(dof) + BCValue + BCDotValue*timeinc
enddo
enddo
end do
end do
call VecRestoreArrayF90(localVec,localArray,ierr); CHKERRQ(ierr)
call VecAssemblyBegin(localVec, ierr); CHKERRQ(ierr)
call VecAssemblyEnd (localVec, ierr); CHKERRQ(ierr)

16
src/prec.f90
View File

@ -273,27 +273,27 @@ subroutine selfTest
realloc_lhs_test = [1,2]
if (any(realloc_lhs_test/=[1,2])) error stop 'LHS allocation'
if (any(realloc_lhs_test/=[1,2])) error stop 'LHS allocation'
call random_number(r)
r = r/minval(r)
if(.not. all(dEq(r,r+PREAL_EPSILON))) error stop 'dEq'
if(dEq(r(1),r(2)) .and. dNeq(r(1),r(2))) error stop 'dNeq'
if(.not. all(dEq0(r-(r+PREAL_MIN)))) error stop 'dEq0'
if (.not. all(dEq(r,r+PREAL_EPSILON))) error stop 'dEq'
if (dEq(r(1),r(2)) .and. dNeq(r(1),r(2))) error stop 'dNeq'
if (.not. all(dEq0(r-(r+PREAL_MIN)))) error stop 'dEq0'
! https://www.binaryconvert.com
! https://www.rapidtables.com/convert/number/binary-to-decimal.html
f = real(prec_bytesToC_FLOAT(int([-65,+11,-102,+75],C_SIGNED_CHAR)),pReal)
if(dNeq(f(1),20191102.0_pReal,0.0_pReal)) error stop 'prec_bytesToC_FLOAT'
if (dNeq(f(1),20191102.0_pReal,0.0_pReal)) error stop 'prec_bytesToC_FLOAT'
f = real(prec_bytesToC_DOUBLE(int([0,0,0,-32,+119,+65,+115,65],C_SIGNED_CHAR)),pReal)
if(dNeq(f(1),20191102.0_pReal,0.0_pReal)) error stop 'prec_bytesToC_DOUBLE'
if (dNeq(f(1),20191102.0_pReal,0.0_pReal)) error stop 'prec_bytesToC_DOUBLE'
i = int(prec_bytesToC_INT32_T(int([+126,+23,+52,+1],C_SIGNED_CHAR)),pInt)
if(i(1) /= 20191102_pInt) error stop 'prec_bytesToC_INT32_T'
if (i(1) /= 20191102_pInt) error stop 'prec_bytesToC_INT32_T'
i = int(prec_bytesToC_INT64_T(int([+126,+23,+52,+1,0,0,0,0],C_SIGNED_CHAR)),pInt)
if(i(1) /= 20191102_pInt) error stop 'prec_bytesToC_INT64_T'
if (i(1) /= 20191102_pInt) error stop 'prec_bytesToC_INT64_T'
end subroutine selfTest