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DAMASK_EICMD
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more specific name 

'interface' can be an interface to anything, 'CLI' is an established
abbreviation for 'command line interface'
This commit is contained in:
Martin Diehl 2022-04-23 14:52:10 +02:00
parent 0e65d44bdc
commit b80b406ad5
8 changed files with 56 additions and 60 deletions
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46
src/DAMASK_interface.f90 → src/CLI.f90
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@ -3,11 +3,7 @@
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH !> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Interfacing between the PETSc-based solvers and the material subroutines provided !> @brief Parse command line interface for PETSc-based solvers
!! by DAMASK
!> @details Interfacing between the PETSc-based solvers and the material subroutines provided
!> by DAMASK. Interpreting the command line arguments to get load case, geometry file,
!> and working directory.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
#define PETSC_MAJOR 3 #define PETSC_MAJOR 3
#define PETSC_MINOR_MIN 12 #define PETSC_MINOR_MIN 12
@ -25,14 +21,14 @@ module DAMASK_interface
implicit none implicit none
private private
integer, public, protected :: & integer, public, protected :: &
interface_restartInc = 0 !< Increment at which calculation starts CLI_restartInc = 0 !< Increment at which calculation starts
character(len=:), allocatable, public, protected :: & character(len=:), allocatable, public, protected :: &
interface_geomFile, & !< parameter given for geometry file CLI_geomFile, & !< parameter given for geometry file
interface_loadFile !< parameter given for load case file CLI_loadFile !< parameter given for load case file
public :: & public :: &
getSolverJobName, & getSolverJobName, &
DAMASK_interface_init CLI_init
contains contains
@ -40,7 +36,7 @@ contains
!> @brief initializes the solver by interpreting the command line arguments. Also writes !> @brief initializes the solver by interpreting the command line arguments. Also writes
!! information on computation to screen !! information on computation to screen
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init subroutine CLI_init
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
#if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR<PETSC_MINOR_MIN || PETSC_VERSION_MINOR>PETSC_MINOR_MAX #if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR<PETSC_MINOR_MIN || PETSC_VERSION_MINOR>PETSC_MINOR_MAX
@ -156,8 +152,8 @@ subroutine DAMASK_interface_init
call get_command_argument(i+1,workingDirArg,status=err) call get_command_argument(i+1,workingDirArg,status=err)
case ('-r', '--rs', '--restart') case ('-r', '--rs', '--restart')
call get_command_argument(i+1,arg,status=err) call get_command_argument(i+1,arg,status=err)
read(arg,*,iostat=stat) interface_restartInc read(arg,*,iostat=stat) CLI_restartInc
if (interface_restartInc < 0 .or. stat /=0) then if (CLI_restartInc < 0 .or. stat /=0) then
print'(/,a)', ' ERROR: Could not parse restart increment: '//trim(arg) print'(/,a)', ' ERROR: Could not parse restart increment: '//trim(arg)
call quit(1) call quit(1)
endif endif
@ -171,8 +167,8 @@ subroutine DAMASK_interface_init
endif endif
if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg)) if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg))
interface_geomFile = getGeometryFile(geometryArg) CLI_geomFile = getGeometryFile(geometryArg)
interface_loadFile = getLoadCaseFile(loadCaseArg) CLI_loadFile = getLoadCaseFile(loadCaseArg)
call get_command(commandLine) call get_command(commandLine)
print'(/,a)', ' Host name: '//getHostName() print'(/,a)', ' Host name: '//getHostName()
@ -184,13 +180,13 @@ subroutine DAMASK_interface_init
print'(a)', ' Geometry argument: '//trim(geometryArg) print'(a)', ' Geometry argument: '//trim(geometryArg)
print'(a)', ' Load case argument: '//trim(loadcaseArg) print'(a)', ' Load case argument: '//trim(loadcaseArg)
print'(/,a)', ' Working directory: '//getCWD() print'(/,a)', ' Working directory: '//getCWD()
print'(a)', ' Geometry file: '//interface_geomFile print'(a)', ' Geometry file: '//CLI_geomFile
print'(a)', ' Load case file: '//interface_loadFile print'(a)', ' Load case file: '//CLI_loadFile
print'(a)', ' Solver job name: '//getSolverJobName() print'(a)', ' Solver job name: '//getSolverJobName()
if (interface_restartInc > 0) & if (CLI_restartInc > 0) &
print'(a,i6.6)', ' Restart from increment: ', interface_restartInc print'(a,i6.6)', ' Restart from increment: ', CLI_restartInc
end subroutine DAMASK_interface_init end subroutine CLI_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -229,15 +225,15 @@ function getSolverJobName()
character(len=:), allocatable :: getSolverJobName character(len=:), allocatable :: getSolverJobName
integer :: posExt,posSep integer :: posExt,posSep
posExt = scan(interface_geomFile,'.',back=.true.) posExt = scan(CLI_geomFile,'.',back=.true.)
posSep = scan(interface_geomFile,'/',back=.true.) posSep = scan(CLI_geomFile,'/',back=.true.)
getSolverJobName = interface_geomFile(posSep+1:posExt-1) getSolverJobName = CLI_geomFile(posSep+1:posExt-1)
posExt = scan(interface_loadFile,'.',back=.true.) posExt = scan(CLI_loadFile,'.',back=.true.)
posSep = scan(interface_loadFile,'/',back=.true.) posSep = scan(CLI_loadFile,'/',back=.true.)
getSolverJobName = getSolverJobName//'_'//interface_loadFile(posSep+1:posExt-1) getSolverJobName = getSolverJobName//'_'//CLI_loadFile(posSep+1:posExt-1)
end function getSolverJobName end function getSolverJobName

12
src/CPFEM2.f90
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@ -43,7 +43,7 @@ contains
subroutine CPFEM_initAll subroutine CPFEM_initAll
call parallelization_init call parallelization_init
call DAMASK_interface_init ! Spectral and FEM interface to commandline call CLI_init ! Spectral and FEM interface to commandline
call signals_init call signals_init
call prec_init call prec_init
call IO_init call IO_init
@ -55,18 +55,18 @@ subroutine CPFEM_initAll
call YAML_types_init call YAML_types_init
call YAML_parse_init call YAML_parse_init
call HDF5_utilities_init call HDF5_utilities_init
call results_init(restart=interface_restartInc>0) call results_init(restart=CLI_restartInc>0)
call config_init call config_init
call math_init call math_init
call rotations_init call rotations_init
call polynomials_init call polynomials_init
call lattice_init call lattice_init
#if defined(MESH) #if defined(MESH)
call discretization_mesh_init(restart=interface_restartInc>0) call discretization_mesh_init(restart=CLI_restartInc>0)
#elif defined(GRID) #elif defined(GRID)
call discretization_grid_init(restart=interface_restartInc>0) call discretization_grid_init(restart=CLI_restartInc>0)
#endif #endif
call material_init(restart=interface_restartInc>0) call material_init(restart=CLI_restartInc>0)
call phase_init call phase_init
call homogenization_init call homogenization_init
call CPFEM_init call CPFEM_init
@ -86,7 +86,7 @@ subroutine CPFEM_init
print'(/,1x,a)', '<<<+- CPFEM init -+>>>'; flush(IO_STDOUT) print'(/,1x,a)', '<<<+- CPFEM init -+>>>'; flush(IO_STDOUT)
if (interface_restartInc > 0) then if (CLI_restartInc > 0) then
print'(/,a,i0,a)', ' reading restart information of increment from file'; flush(IO_STDOUT) print'(/,a,i0,a)', ' reading restart information of increment from file'; flush(IO_STDOUT)
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r') fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')

10
src/grid/DAMASK_grid.f90
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@ -134,8 +134,8 @@ program DAMASK_grid
if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack') if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
if (worldrank == 0) then if (worldrank == 0) then
fileContent = IO_read(interface_loadFile) fileContent = IO_read(CLI_loadFile)
fname = interface_loadFile fname = CLI_loadFile
if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:) if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:)
call results_openJobFile(parallel=.false.) call results_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup',fname,'load case definition (grid solver)') call results_writeDataset_str(fileContent,'setup',fname,'load case definition (grid solver)')
@ -315,7 +315,7 @@ program DAMASK_grid
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! write header of output file ! write header of output file
if (worldrank == 0) then if (worldrank == 0) then
writeHeader: if (interface_restartInc < 1) then writeHeader: if (CLI_restartInc < 1) then
open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE') open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
else writeHeader else writeHeader
@ -324,7 +324,7 @@ program DAMASK_grid
endif writeHeader endif writeHeader
endif endif
writeUndeformed: if (interface_restartInc < 1) then writeUndeformed: if (CLI_restartInc < 1) then
print'(/,1x,a)', '... writing initial configuration to file .................................' print'(/,1x,a)', '... writing initial configuration to file .................................'
flush(IO_STDOUT) flush(IO_STDOUT)
call CPFEM_results(0,0.0_pReal) call CPFEM_results(0,0.0_pReal)
@ -348,7 +348,7 @@ program DAMASK_grid
endif endif
Delta_t = Delta_t * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step Delta_t = Delta_t * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc? skipping: if (totalIncsCounter <= CLI_restartInc) then ! not yet at restart inc?
t = t + Delta_t ! just advance time, skip already performed calculation t = t + Delta_t ! just advance time, skip already performed calculation
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
else skipping else skipping

6
src/grid/discretization_grid.f90
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@ -76,14 +76,14 @@ subroutine discretization_grid_init(restart)
if (worldrank == 0) then if (worldrank == 0) then
fileContent = IO_read(interface_geomFile) fileContent = IO_read(CLI_geomFile)
call VTI_readCellsSizeOrigin(cells,geomSize,origin,fileContent) call VTI_readCellsSizeOrigin(cells,geomSize,origin,fileContent)
materialAt_global = VTI_readDataset_int(fileContent,'material') + 1 materialAt_global = VTI_readDataset_int(fileContent,'material') + 1
if (any(materialAt_global < 1)) & if (any(materialAt_global < 1)) &
call IO_error(180,ext_msg='material ID < 1') call IO_error(180,ext_msg='material ID < 1')
if (size(materialAt_global) /= product(cells)) & if (size(materialAt_global) /= product(cells)) &
call IO_error(180,ext_msg='mismatch in # of material IDs and cells') call IO_error(180,ext_msg='mismatch in # of material IDs and cells')
fname = interface_geomFile fname = CLI_geomFile
if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:) if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:)
call results_openJobFile(parallel=.false.) call results_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup',fname,'geometry definition (grid solver)') call results_writeDataset_str(fileContent,'setup',fname,'geometry definition (grid solver)')
@ -329,7 +329,7 @@ function discretization_grid_getInitialCondition(label) result(ic)
displs, sendcounts displs, sendcounts
if (worldrank == 0) then if (worldrank == 0) then
ic_global = VTI_readDataset_real(IO_read(interface_geomFile),label) ic_global = VTI_readDataset_real(IO_read(CLI_geomFile),label)
else else
allocate(ic_global(0)) ! needed for IntelMPI allocate(ic_global(0)) ! needed for IntelMPI
endif endif

10
src/grid/grid_mech_FEM.f90
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@ -231,8 +231,8 @@ subroutine grid_mechanical_FEM_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init fields ! init fields
restartRead: if (interface_restartInc > 0) then restartRead: if (CLI_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', interface_restartInc, ' from file' print'(/,1x,a,i0,a)', 'reading restart data of increment ', CLI_restartInc, ' from file'
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r') fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
groupHandle = HDF5_openGroup(fileHandle,'solver') groupHandle = HDF5_openGroup(fileHandle,'solver')
@ -254,7 +254,7 @@ subroutine grid_mechanical_FEM_init
call HDF5_read(u_current,groupHandle,'u') call HDF5_read(u_current,groupHandle,'u')
call HDF5_read(u_lastInc,groupHandle,'u_lastInc') call HDF5_read(u_lastInc,groupHandle,'u_lastInc')
elseif (interface_restartInc == 0) then restartRead elseif (CLI_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity
F = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) F = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3)
endif restartRead endif restartRead
@ -269,8 +269,8 @@ subroutine grid_mechanical_FEM_init
call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc) call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
restartRead2: if (interface_restartInc > 0) then restartRead2: if (CLI_restartInc > 0) then
print'(1x,a,i0,a)', 'reading more restart data of increment ', interface_restartInc, ' from file' print'(1x,a,i0,a)', 'reading more restart data of increment ', CLI_restartInc, ' from file'
call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.) call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.)
call MPI_Bcast(C_volAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI) call MPI_Bcast(C_volAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI)
if(err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' if(err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'

10
src/grid/grid_mech_spectral_basic.f90
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@ -201,8 +201,8 @@ subroutine grid_mechanical_spectral_basic_init
call DMDAVecGetArrayF90(da,solution_vec,F,err_PETSc) ! places pointer on PETSc data call DMDAVecGetArrayF90(da,solution_vec,F,err_PETSc) ! places pointer on PETSc data
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
restartRead: if (interface_restartInc > 0) then restartRead: if (CLI_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', interface_restartInc, ' from file' print'(/,1x,a,i0,a)', 'reading restart data of increment ', CLI_restartInc, ' from file'
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r') fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
groupHandle = HDF5_openGroup(fileHandle,'solver') groupHandle = HDF5_openGroup(fileHandle,'solver')
@ -222,7 +222,7 @@ subroutine grid_mechanical_spectral_basic_init
call HDF5_read(F,groupHandle,'F') call HDF5_read(F,groupHandle,'F')
call HDF5_read(F_lastInc,groupHandle,'F_lastInc') call HDF5_read(F_lastInc,groupHandle,'F_lastInc')
elseif (interface_restartInc == 0) then restartRead elseif (CLI_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity
F = reshape(F_lastInc,[9,cells(1),cells(2),cells3]) F = reshape(F_lastInc,[9,cells(1),cells(2),cells3])
end if restartRead end if restartRead
@ -235,8 +235,8 @@ subroutine grid_mechanical_spectral_basic_init
call DMDAVecRestoreArrayF90(da,solution_vec,F,err_PETSc) ! deassociate pointer call DMDAVecRestoreArrayF90(da,solution_vec,F,err_PETSc) ! deassociate pointer
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
restartRead2: if (interface_restartInc > 0) then restartRead2: if (CLI_restartInc > 0) then
print'(1x,a,i0,a)', 'reading more restart data of increment ', interface_restartInc, ' from file' print'(1x,a,i0,a)', 'reading more restart data of increment ', CLI_restartInc, ' from file'
call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.) call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.)
call MPI_Bcast(C_volAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI) call MPI_Bcast(C_volAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'

10
src/grid/grid_mech_spectral_polarisation.f90
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@ -223,8 +223,8 @@ subroutine grid_mechanical_spectral_polarisation_init
F => FandF_tau(0: 8,:,:,:) F => FandF_tau(0: 8,:,:,:)
F_tau => FandF_tau(9:17,:,:,:) F_tau => FandF_tau(9:17,:,:,:)
restartRead: if (interface_restartInc > 0) then restartRead: if (CLI_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', interface_restartInc, ' from file' print'(/,1x,a,i0,a)', 'reading restart data of increment ', CLI_restartInc, ' from file'
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r') fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
groupHandle = HDF5_openGroup(fileHandle,'solver') groupHandle = HDF5_openGroup(fileHandle,'solver')
@ -246,7 +246,7 @@ subroutine grid_mechanical_spectral_polarisation_init
call HDF5_read(F_tau,groupHandle,'F_tau') call HDF5_read(F_tau,groupHandle,'F_tau')
call HDF5_read(F_tau_lastInc,groupHandle,'F_tau_lastInc') call HDF5_read(F_tau_lastInc,groupHandle,'F_tau_lastInc')
elseif (interface_restartInc == 0) then restartRead elseif (CLI_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity
F = reshape(F_lastInc,[9,cells(1),cells(2),cells3]) F = reshape(F_lastInc,[9,cells(1),cells(2),cells3])
F_tau = 2.0_pReal*F F_tau = 2.0_pReal*F
@ -261,8 +261,8 @@ subroutine grid_mechanical_spectral_polarisation_init
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,err_PETSc) ! deassociate pointer call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,err_PETSc) ! deassociate pointer
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
restartRead2: if (interface_restartInc > 0) then restartRead2: if (CLI_restartInc > 0) then
print'(1x,a,i0,a)', 'reading more restart data of increment ', interface_restartInc, ' from file' print'(1x,a,i0,a)', 'reading more restart data of increment ', CLI_restartInc, ' from file'
call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.) call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.)
call MPI_Bcast(C_volAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI) call MPI_Bcast(C_volAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'

4
src/grid/grid_thermal_spectral.f90
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@ -140,8 +140,8 @@ subroutine grid_thermal_spectral_init()
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
restartRead: if (interface_restartInc > 0) then restartRead: if (CLI_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', interface_restartInc, ' from file' print'(/,1x,a,i0,a)', 'reading restart data of increment ', CLI_restartInc, ' from file'
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r') fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
groupHandle = HDF5_openGroup(fileHandle,'solver') groupHandle = HDF5_openGroup(fileHandle,'solver')