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DAMASK_EICMD
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taking care of corner cases (e.g. restart) 

adjusting tests to take care of new 'setup' group
This commit is contained in:
Martin Diehl 2021-07-27 11:59:46 +02:00
parent a6f7e4f1a6
commit 044a048944
9 changed files with 37 additions and 13 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit 7d48d8158c1b2c0ab8bdd1c5d2baa3d020ae006d
Subproject commit 9699f20f21f8a5f532c735a1aa9daeba395da94d

4
src/HDF5_utilities.f90
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@ -1473,6 +1473,10 @@ subroutine HDF5_write_real7(dataset,loc_id,datasetName,parallel)
end subroutine HDF5_write_real7
!--------------------------------------------------------------------------------------------------
!> @brief Write dataset of type string (scalar).
!> @details Not collective, must be called by one process at at time.
!--------------------------------------------------------------------------------------------------
subroutine HDF5_write_str(dataset,loc_id,datasetName)
character(len=*), intent(in) :: dataset

8
src/IO.f90
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@ -128,19 +128,19 @@ function IO_read(fileName) result(fileContent)
inquire(file = fileName, size=fileLength)
open(newunit=fileUnit, file=fileName, access='stream',&
status='old', position='rewind', action='read',iostat=myStat)
if(myStat /= 0) call IO_error(100,ext_msg=trim(fileName))
if (myStat /= 0) call IO_error(100,ext_msg=trim(fileName))
allocate(character(len=fileLength)::fileContent)
if(fileLength==0) then
if (fileLength==0) then
close(fileUnit)
return
endif
read(fileUnit,iostat=myStat) fileContent
if(myStat /= 0) call IO_error(102,ext_msg=trim(fileName))
if (myStat /= 0) call IO_error(102,ext_msg=trim(fileName))
close(fileUnit)
if (scan(fileContent(:index(fileContent,LF)),CR//LF) /= 0) fileContent = CRLF2LF(fileContent)
if(fileContent(fileLength:fileLength) /= IO_EOL) fileContent = fileContent//IO_EOL ! ensure EOL@EOF
if (fileContent(fileLength:fileLength) /= IO_EOL) fileContent = fileContent//IO_EOL ! ensure EOL@EOF
end function IO_read

2
src/config.f90
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@ -56,7 +56,7 @@ subroutine parse_material()
print*, 'reading material.yaml'; flush(IO_STDOUT)
fileContent = IO_read('material.yaml')
call results_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup','material.yaml','DAMASK main configuration')
call results_writeDataset_str(fileContent,'setup','material.yaml','main configuration')
call results_closeJobFile
endif
call parallelization_bcast_str(fileContent)

6
src/grid/DAMASK_grid.f90
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@ -108,7 +108,7 @@ program DAMASK_grid
step_mech, &
step_discretization
character(len=:), allocatable :: &
fileContent
fileContent, fname
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
@ -131,8 +131,10 @@ program DAMASK_grid
if (worldrank == 0) then
fileContent = IO_read(interface_loadFile)
fname = interface_loadFile
if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:)
call results_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup',interface_loadFile,'load case definition (grid solver)')
call results_writeDataset_str(fileContent,'setup',fname,'load case definition (grid solver)')
call results_closeJobFile
endif

6
src/grid/discretization_grid.f90
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@ -69,7 +69,7 @@ subroutine discretization_grid_init(restart)
integer, dimension(worldsize) :: &
displs, sendcounts
character(len=:), allocatable :: &
fileContent
fileContent, fname
print'(/,a)', ' <<<+- discretization_grid init -+>>>'; flush(IO_STDOUT)
@ -78,8 +78,10 @@ subroutine discretization_grid_init(restart)
if(worldrank == 0) then
fileContent = IO_read(interface_geomFile)
call readVTI(grid,geomSize,origin,materialAt_global,fileContent)
fname = interface_geomFile
if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:)
call results_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup',interface_geomFile,'geometry definition (grid solver)')
call results_writeDataset_str(fileContent,'setup',fname,'geometry definition (grid solver)')
call results_closeJobFile
else
allocate(materialAt_global(0)) ! needed for IntelMPI

2
src/math.f90
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@ -1209,7 +1209,7 @@ subroutine selfTest
error stop 'math_sym33to6/math_6toSym33'
call random_number(t66)
if(any(dNeq(math_sym3333to66(math_66toSym3333(t66)),t66))) &
if(any(dNeq(math_sym3333to66(math_66toSym3333(t66)),t66,1.0e-15_pReal))) &
error stop 'math_sym3333to66/math_66toSym3333'
call random_number(v6)

1
src/prec.f90
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@ -89,6 +89,7 @@ end subroutine prec_init
! replaces "==" but for certain (relative) tolerance. Counterpart to dNeq
! https://randomascii.wordpress.com/2012/02/25/comparing-floating-point-numbers-2012-edition/
! AlmostEqualRelative
! ToDo: Use 'spacing': https://gcc.gnu.org/onlinedocs/gfortran/SPACING.html#SPACING
!--------------------------------------------------------------------------------------------------
logical elemental pure function dEq(a,b,tol)

19
src/results.f90
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@ -65,13 +65,17 @@ subroutine results_init(restart)
logical, intent(in) :: restart
character(len=pPathLen) :: commandLine
integer :: hdferr
integer(HID_T) :: group_id
character(len=:), allocatable :: date
print'(/,a)', ' <<<+- results init -+>>>'; flush(IO_STDOUT)
print*, 'M. Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
print*, 'https://doi.org/10.1007/s40192-017-0084-5'//IO_EOL
if(.not. restart) then
if (.not. restart) then
resultsFile = HDF5_openFile(getSolverJobName()//'.hdf5','w')
call results_addAttribute('DADF5_version_major',0)
call results_addAttribute('DADF5_version_minor',14)
@ -84,9 +88,20 @@ subroutine results_init(restart)
call results_addAttribute('description','mappings to place data in space','cell_to')
call results_closeGroup(results_addGroup('setup'))
call results_addAttribute('description','input data used to run the simulation','setup')
call results_closeJobFile
else
date = now()
call results_openJobFile
call get_command(commandLine)
call results_addAttribute('call (restart at '//date//')',trim(commandLine))
call h5gmove_f(resultsFile,'setup','tmp',hdferr)
call results_addAttribute('description','input data used to run the simulation (backup from restart at '//date//')','tmp')
call results_closeGroup(results_addGroup('setup'))
call results_addAttribute('description','input data used to run the simulation','setup')
call h5gmove_f(resultsFile,'tmp','setup/backup',hdferr)
endif
call results_closeJobFile
end subroutine results_init