diff --git a/code/DAMASK_spectral_interface.f90 b/code/DAMASK_spectral_interface.f90 index 782f5eca3..b52bd1836 100644 --- a/code/DAMASK_spectral_interface.f90 +++ b/code/DAMASK_spectral_interface.f90 @@ -9,16 +9,14 @@ !> by DAMASK. Interpretating the command line arguments or, in case of called from f2py, !> the arguments parsed to the init routine to get load case, geometry file, working !> directory, etc. -!-----------------------------------------------------------`--------------------------------------- +!-------------------------------------------------------------------------------------------------- module DAMASK_interface use prec, only: & pInt implicit none private -#ifdef PETSc #include -#endif logical, public, protected :: appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding) integer(pInt), public, protected :: spectralRestartInc = 1_pInt !< Increment at which calculation starts @@ -65,31 +63,33 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn) userName, & !< name of user calling DAMASK_spectral.exe tag integer :: & - i + i, & + worldrank = 0 integer, parameter :: & maxNchunks = 128 !< DAMASK_spectral + (l,g,w,r)*2 + h integer, dimension(1+ 2* maxNchunks) :: & positions integer, dimension(8) :: & dateAndTime ! type default integer + PetscErrorCode :: ierr external :: & - quit -#ifdef PETSc - external :: & + quit,& + MPI_Comm_rank,& PETScInitialize, & MPI_abort - PetscErrorCode :: ierr !-------------------------------------------------------------------------------------------------- ! PETSc Init call PetscInitialize(PETSC_NULL_CHARACTER,ierr) ! according to PETSc manual, that should be the first line in the code CHKERRQ(ierr) ! this is a macro definition, it is case sensitive -#endif open(6, encoding='UTF-8') ! modern fortran compilers (gfortran >4.4, ifort >11 support it) - write(6,'(/,a)') ' <<<+- DAMASK_spectral_interface init -+>>>' - write(6,'(a)') ' $Id$' + call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr) + mainProcess: if (worldrank == 0) then + write(6,'(/,a)') ' <<<+- DAMASK_spectral_interface init -+>>>' + write(6,'(a)') ' $Id$' #include "compilation_info.f90" + endif mainProcess if ( present(loadcaseParameterIn) .and. present(geometryParameterIn)) then ! both mandatory parameters given in function call geometryArg = geometryParameterIn @@ -102,60 +102,62 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn) tag = IIO_lc(IIO_stringValue(commandLine,positions,i)) ! extract key select case(tag) case ('-h','--help') - write(6,'(a)') ' #######################################################################' - write(6,'(a)') ' DAMASK_spectral:' - write(6,'(a)') ' The spectral method boundary value problem solver for' - write(6,'(a)') ' the Düsseldorf Advanced Material Simulation Kit' - write(6,'(a,/)')' #######################################################################' - write(6,'(a,/)')' Valid command line switches:' - write(6,'(a)') ' --geom (-g, --geometry)' - write(6,'(a)') ' --load (-l, --loadcase)' - write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory, -d, --directory)' - write(6,'(a)') ' --restart (-r, --rs)' - write(6,'(a)') ' --regrid (--rg)' - write(6,'(a)') ' --help (-h)' - write(6,'(/,a)')' -----------------------------------------------------------------------' - write(6,'(a)') ' Mandatory arguments:' - write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom.geom' - write(6,'(a)') ' Specifies the location of the geometry definition file,' - write(6,'(a)') ' if no extension is given, .geom will be appended.' - write(6,'(a)') ' "PathToGeomFile" will be the working directory if not specified' - write(6,'(a)') ' via --workingdir.' - write(6,'(a)') ' Make sure the file "material.config" exists in the working' - write(6,'(a)') ' directory.' - write(6,'(a)') ' For further configuration place "numerics.config"' - write(6,'(a)')' and "numerics.config" in that directory.' - write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile.load' - write(6,'(a)') ' Specifies the location of the load case definition file,' - write(6,'(a)') ' if no extension is given, .load will be appended.' - write(6,'(/,a)')' -----------------------------------------------------------------------' - write(6,'(a)') ' Optional arguments:' - write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory' - write(6,'(a)') ' Specifies the working directory and overwrites the default' - write(6,'(a)') ' "PathToGeomFile".' - write(6,'(a)') ' Make sure the file "material.config" exists in the working' - write(6,'(a)') ' directory.' - write(6,'(a)') ' For further configuration place "numerics.config"' - write(6,'(a)')' and "numerics.config" in that directory.' - write(6,'(/,a)')' --restart XX' - write(6,'(a)') ' Reads in total increment No. XX-1 and continues to' - write(6,'(a)') ' calculate total increment No. XX.' - write(6,'(a)') ' Appends to existing results file ' - write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".' - write(6,'(a)') ' Works only if the restart information for total increment' - write(6,'(a)') ' No. XX-1 is available in the working directory.' - write(6,'(/,a)')' --regrid XX' - write(6,'(a)') ' Reads in total increment No. XX-1 and continues to' - write(6,'(a)') ' calculate total increment No. XX.' - write(6,'(a)') ' Attention: Overwrites existing results file ' - write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".' - write(6,'(a)') ' Works only if the restart information for total increment' - write(6,'(a)') ' No. XX-1 is available in the working directory.' - write(6,'(/,a)')' -----------------------------------------------------------------------' - write(6,'(a)') ' Help:' - write(6,'(/,a)')' --help' - write(6,'(a,/)')' Prints this message and exits' - call quit(0_pInt) ! normal Termination + mainProcess2: if (worldrank == 0) then + write(6,'(a)') ' #######################################################################' + write(6,'(a)') ' DAMASK_spectral:' + write(6,'(a)') ' The spectral method boundary value problem solver for' + write(6,'(a)') ' the Düsseldorf Advanced Material Simulation Kit' + write(6,'(a,/)')' #######################################################################' + write(6,'(a,/)')' Valid command line switches:' + write(6,'(a)') ' --geom (-g, --geometry)' + write(6,'(a)') ' --load (-l, --loadcase)' + write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory, -d, --directory)' + write(6,'(a)') ' --restart (-r, --rs)' + write(6,'(a)') ' --regrid (--rg)' + write(6,'(a)') ' --help (-h)' + write(6,'(/,a)')' -----------------------------------------------------------------------' + write(6,'(a)') ' Mandatory arguments:' + write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom.geom' + write(6,'(a)') ' Specifies the location of the geometry definition file,' + write(6,'(a)') ' if no extension is given, .geom will be appended.' + write(6,'(a)') ' "PathToGeomFile" will be the working directory if not specified' + write(6,'(a)') ' via --workingdir.' + write(6,'(a)') ' Make sure the file "material.config" exists in the working' + write(6,'(a)') ' directory.' + write(6,'(a)') ' For further configuration place "numerics.config"' + write(6,'(a)')' and "numerics.config" in that directory.' + write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile.load' + write(6,'(a)') ' Specifies the location of the load case definition file,' + write(6,'(a)') ' if no extension is given, .load will be appended.' + write(6,'(/,a)')' -----------------------------------------------------------------------' + write(6,'(a)') ' Optional arguments:' + write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory' + write(6,'(a)') ' Specifies the working directory and overwrites the default' + write(6,'(a)') ' "PathToGeomFile".' + write(6,'(a)') ' Make sure the file "material.config" exists in the working' + write(6,'(a)') ' directory.' + write(6,'(a)') ' For further configuration place "numerics.config"' + write(6,'(a)')' and "numerics.config" in that directory.' + write(6,'(/,a)')' --restart XX' + write(6,'(a)') ' Reads in total increment No. XX-1 and continues to' + write(6,'(a)') ' calculate total increment No. XX.' + write(6,'(a)') ' Appends to existing results file ' + write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".' + write(6,'(a)') ' Works only if the restart information for total increment' + write(6,'(a)') ' No. XX-1 is available in the working directory.' + write(6,'(/,a)')' --regrid XX' + write(6,'(a)') ' Reads in total increment No. XX-1 and continues to' + write(6,'(a)') ' calculate total increment No. XX.' + write(6,'(a)') ' Attention: Overwrites existing results file ' + write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".' + write(6,'(a)') ' Works only if the restart information for total increment' + write(6,'(a)') ' No. XX-1 is available in the working directory.' + write(6,'(/,a)')' -----------------------------------------------------------------------' + write(6,'(a)') ' Help:' + write(6,'(/,a)')' --help' + write(6,'(a,/)')' Prints this message and exits' + call quit(0_pInt) ! normal Termination + endif mainProcess2 case ('-l', '--load', '--loadcase') loadcaseArg = IIO_stringValue(commandLine,positions,i+1_pInt) case ('-g', '--geom', '--geometry') @@ -184,28 +186,29 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn) call get_environment_variable('HOSTNAME',hostName) call get_environment_variable('USER',userName) call date_and_time(values = dateAndTime) - - write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& - dateAndTime(2),'/',& - dateAndTime(1) - write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',& - dateAndTime(6),':',& - dateAndTime(7) - write(6,'(a,a)') ' Host name: ', trim(hostName) - write(6,'(a,a)') ' User name: ', trim(userName) - write(6,'(a,a)') ' Path separator: ', getPathSep() - write(6,'(a,a)') ' Command line call: ', trim(commandLine) - if (len(trim(workingDirArg))>0) & - write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg) - write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg) - write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg) - write(6,'(a,a)') ' Working directory: ', trim(getSolverWorkingDirectoryName()) - write(6,'(a,a)') ' Geometry file: ', trim(geometryFile) - write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile) - write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName()) - if (SpectralRestartInc > 1_pInt) write(6,'(a,i6.6)') & - ' Restart at increment: ', spectralRestartInc - write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile + mainProcess3: if (worldrank == 0) then + write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& + dateAndTime(2),'/',& + dateAndTime(1) + write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',& + dateAndTime(6),':',& + dateAndTime(7) + write(6,'(a,a)') ' Host name: ', trim(hostName) + write(6,'(a,a)') ' User name: ', trim(userName) + write(6,'(a,a)') ' Path separator: ', getPathSep() + write(6,'(a,a)') ' Command line call: ', trim(commandLine) + if (len(trim(workingDirArg))>0) & + write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg) + write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg) + write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg) + write(6,'(a,a)') ' Working directory: ', trim(getSolverWorkingDirectoryName()) + write(6,'(a,a)') ' Geometry file: ', trim(geometryFile) + write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile) + write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName()) + if (SpectralRestartInc > 1_pInt) & + write(6,'(a,i6.6)') ' Restart at increment: ', spectralRestartInc + write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile + endif mainProcess3 end subroutine DAMASK_interface_init diff --git a/code/IO.f90 b/code/IO.f90 index e34462c75..a887f1fe5 100644 --- a/code/IO.f90 +++ b/code/IO.f90 @@ -102,23 +102,22 @@ contains !-------------------------------------------------------------------------------------------------- subroutine IO_init use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) -#ifdef FEM + + implicit none + integer(pInt) :: worldrank +#ifdef PETSc #include - PetscInt :: worldrank PetscErrorCode :: ierr #endif -#ifdef FEM +#ifdef PETSc call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr) - if (worldrank == 0) then -#endif - write(6,'(/,a)') ' <<<+- IO init -+>>>' - write(6,'(a)') ' $Id$' - write(6,'(a15,a)') ' Current time: ',IO_timeStamp() + mainProcess: if (worldrank == 0) then + write(6,'(/,a)') ' <<<+- IO init -+>>>' + write(6,'(a)') ' $Id$' + write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" -#ifdef FEM - endif -#endif + endif #ifdef HDF call HDF5_createJobFile diff --git a/code/numerics.f90 b/code/numerics.f90 index 37003ce83..2dfb07261 100644 --- a/code/numerics.f90 +++ b/code/numerics.f90 @@ -12,7 +12,7 @@ module numerics implicit none private -#ifdef FEM +#ifdef PETSc #include #endif character(len=64), parameter, private :: & @@ -27,7 +27,9 @@ module numerics nState = 10_pInt, & !< state loop limit nStress = 40_pInt, & !< stress loop limit pert_method = 1_pInt, & !< method used in perturbation technique for tangent - fixedSeed = 0_pInt !< fixed seeding for pseudo-random number generator, Default 0: use random seed + fixedSeed = 0_pInt, & !< fixed seeding for pseudo-random number generator, Default 0: use random seed + worldrank = 0_pInt, & !< MPI worldrank (/=0 for MPI simulations only) + worldsize = 0_pInt !< MPI worldsize (/=0 for MPI simulations only) integer, protected, public :: & DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive integer(pInt), public :: & @@ -154,9 +156,7 @@ module numerics integrationOrder = 1_pInt, & structOrder = 2_pInt, & thermalOrder = 2_pInt, & - damageOrder = 2_pInt, & - worldrank = 0_pInt, & - worldsize = 0_pInt + damageOrder = 2_pInt #endif public :: numerics_init @@ -201,19 +201,17 @@ subroutine numerics_init line !$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS -#ifdef FEM +#ifdef PETSc call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr) call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr) - if (worldrank == 0) then -#endif - write(6,'(/,a)') ' <<<+- numerics init -+>>>' - write(6,'(a)') ' $Id$' - write(6,'(a15,a)') ' Current time: ',IO_timeStamp() +#endif + mainProcess: if (worldrank == 0) then + write(6,'(/,a)') ' <<<+- numerics init -+>>>' + write(6,'(a)') ' $Id$' + write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" -#ifdef FEM - endif -#endif - + endif mainProcess + !$ call GET_ENVIRONMENT_VARIABLE(NAME='DAMASK_NUM_THREADS',VALUE=DAMASK_NumThreadsString,STATUS=gotDAMASK_NUM_THREADS) ! get environment variable DAMASK_NUM_THREADS... !$ if(gotDAMASK_NUM_THREADS /= 0) then ! could not get number of threads, set it to 1 !$ call IO_warning(35_pInt,ext_msg='BEGIN:'//DAMASK_NumThreadsString//':END') @@ -227,14 +225,10 @@ subroutine numerics_init !-------------------------------------------------------------------------------------------------- ! try to open the config file fileExists: if(IO_open_file_stat(FILEUNIT,numerics_configFile)) then -#ifdef FEM - if (worldrank == 0) then -#endif - write(6,'(a,/)') ' using values from config file' - flush(6) -#ifdef FEM - endif -#endif + mainProcess2: if (worldrank == 0) then + write(6,'(a,/)') ' using values from config file' + flush(6) + endif mainProcess2 !-------------------------------------------------------------------------------------------------- ! read variables from config file and overwrite default parameters if keyword is present @@ -422,9 +416,9 @@ subroutine numerics_init case ('petsc_optionsfem') petsc_optionsFEM = trim(line(positions(4):)) #else - case ('err_struct_tolabs','err_struct_tolrel','err_thermal_tol','err_damage_tol','residualstiffness',& ! found spectral parameter for FEM build - 'itmaxfem', 'itminfem','maxcutbackfem','integrationorder','structorder','thermalorder', & - 'damageorder','petsc_optionsfem') + case ('err_struct_tolabs','err_struct_tolrel','err_thermal_tol','err_damage_tol',& ! found FEM parameter for spectral/Abaqus/Marc build + 'residualstiffness', 'itmaxfem', 'itminfem','maxcutbackfem','integrationorder',& + 'structorder','thermalorder', 'damageorder','petsc_optionsfem') call IO_warning(40_pInt,ext_msg=tag) #endif case default ! found unknown keyword @@ -446,7 +440,7 @@ subroutine numerics_init #ifdef Spectral select case(IO_lc(fftw_plan_mode)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f - case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution + case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution fftw_planner_flag = 64_pInt case('measure','fftw_measure') fftw_planner_flag = 0_pInt @@ -462,58 +456,56 @@ subroutine numerics_init numerics_timeSyncing = numerics_timeSyncing .and. all(numerics_integrator==2_pInt) ! timeSyncing only allowed for explicit Euler integrator -#ifdef FEM - if (worldrank == 0) then -#endif !-------------------------------------------------------------------------------------------------- ! writing parameters to output - write(6,'(a24,1x,es8.1)') ' relevantStrain: ',relevantStrain - write(6,'(a24,1x,es8.1)') ' defgradTolerance: ',defgradTolerance - write(6,'(a24,1x,i8)') ' iJacoStiffness: ',iJacoStiffness - write(6,'(a24,1x,i8)') ' iJacoLpresiduum: ',iJacoLpresiduum - write(6,'(a24,1x,es8.1)') ' pert_Fg: ',pert_Fg - write(6,'(a24,1x,i8)') ' pert_method: ',pert_method - write(6,'(a24,1x,i8)') ' nCryst: ',nCryst - write(6,'(a24,1x,es8.1)') ' subStepMinCryst: ',subStepMinCryst - write(6,'(a24,1x,es8.1)') ' subStepSizeCryst: ',subStepSizeCryst - write(6,'(a24,1x,es8.1)') ' stepIncreaseCryst: ',stepIncreaseCryst - write(6,'(a24,1x,i8)') ' nState: ',nState - write(6,'(a24,1x,i8)') ' nStress: ',nStress - write(6,'(a24,1x,es8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState - write(6,'(a24,1x,es8.1)') ' rTol_crystalliteStress: ',rTol_crystalliteStress - write(6,'(a24,1x,es8.1)') ' aTol_crystalliteStress: ',aTol_crystalliteStress - write(6,'(a24,2(1x,i8))') ' integrator: ',numerics_integrator - write(6,'(a24,1x,L8)') ' timeSyncing: ',numerics_timeSyncing - write(6,'(a24,1x,L8)') ' analytic Jacobian: ',analyticJaco - write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong - write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength + mainProcess3: if (worldrank == 0) then + write(6,'(a24,1x,es8.1)') ' relevantStrain: ',relevantStrain + write(6,'(a24,1x,es8.1)') ' defgradTolerance: ',defgradTolerance + write(6,'(a24,1x,i8)') ' iJacoStiffness: ',iJacoStiffness + write(6,'(a24,1x,i8)') ' iJacoLpresiduum: ',iJacoLpresiduum + write(6,'(a24,1x,es8.1)') ' pert_Fg: ',pert_Fg + write(6,'(a24,1x,i8)') ' pert_method: ',pert_method + write(6,'(a24,1x,i8)') ' nCryst: ',nCryst + write(6,'(a24,1x,es8.1)') ' subStepMinCryst: ',subStepMinCryst + write(6,'(a24,1x,es8.1)') ' subStepSizeCryst: ',subStepSizeCryst + write(6,'(a24,1x,es8.1)') ' stepIncreaseCryst: ',stepIncreaseCryst + write(6,'(a24,1x,i8)') ' nState: ',nState + write(6,'(a24,1x,i8)') ' nStress: ',nStress + write(6,'(a24,1x,es8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState + write(6,'(a24,1x,es8.1)') ' rTol_crystalliteStress: ',rTol_crystalliteStress + write(6,'(a24,1x,es8.1)') ' aTol_crystalliteStress: ',aTol_crystalliteStress + write(6,'(a24,2(1x,i8))') ' integrator: ',numerics_integrator + write(6,'(a24,1x,L8)') ' timeSyncing: ',numerics_timeSyncing + write(6,'(a24,1x,L8)') ' analytic Jacobian: ',analyticJaco + write(6,'(a24,1x,L8)') ' use ping pong scheme: ',usepingpong + write(6,'(a24,1x,es8.1,/)')' unitlength: ',numerics_unitlength - write(6,'(a24,1x,i8)') ' nHomog: ',nHomog - write(6,'(a24,1x,es8.1)') ' subStepMinHomog: ',subStepMinHomog - write(6,'(a24,1x,es8.1)') ' subStepSizeHomog: ',subStepSizeHomog - write(6,'(a24,1x,es8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog - write(6,'(a24,1x,i8,/)') ' nMPstate: ',nMPstate + write(6,'(a24,1x,i8)') ' nHomog: ',nHomog + write(6,'(a24,1x,es8.1)') ' subStepMinHomog: ',subStepMinHomog + write(6,'(a24,1x,es8.1)') ' subStepSizeHomog: ',subStepSizeHomog + write(6,'(a24,1x,es8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog + write(6,'(a24,1x,i8,/)') ' nMPstate: ',nMPstate !-------------------------------------------------------------------------------------------------- ! RGC parameters - write(6,'(a24,1x,es8.1)') ' aTol_RGC: ',absTol_RGC - write(6,'(a24,1x,es8.1)') ' rTol_RGC: ',relTol_RGC - write(6,'(a24,1x,es8.1)') ' aMax_RGC: ',absMax_RGC - write(6,'(a24,1x,es8.1)') ' rMax_RGC: ',relMax_RGC - write(6,'(a24,1x,es8.1)') ' perturbPenalty_RGC: ',pPert_RGC - write(6,'(a24,1x,es8.1)') ' relevantMismatch_RGC: ',xSmoo_RGC - write(6,'(a24,1x,es8.1)') ' viscosityrate_RGC: ',viscPower_RGC - write(6,'(a24,1x,es8.1)') ' viscositymodulus_RGC: ',viscModus_RGC - write(6,'(a24,1x,es8.1)') ' maxrelaxation_RGC: ',maxdRelax_RGC - write(6,'(a24,1x,es8.1)') ' maxVolDiscrepancy_RGC: ',maxVolDiscr_RGC - write(6,'(a24,1x,es8.1)') ' volDiscrepancyMod_RGC: ',volDiscrMod_RGC - write(6,'(a24,1x,es8.1,/)') ' discrepancyPower_RGC: ',volDiscrPow_RGC + write(6,'(a24,1x,es8.1)') ' aTol_RGC: ',absTol_RGC + write(6,'(a24,1x,es8.1)') ' rTol_RGC: ',relTol_RGC + write(6,'(a24,1x,es8.1)') ' aMax_RGC: ',absMax_RGC + write(6,'(a24,1x,es8.1)') ' rMax_RGC: ',relMax_RGC + write(6,'(a24,1x,es8.1)') ' perturbPenalty_RGC: ',pPert_RGC + write(6,'(a24,1x,es8.1)') ' relevantMismatch_RGC: ',xSmoo_RGC + write(6,'(a24,1x,es8.1)') ' viscosityrate_RGC: ',viscPower_RGC + write(6,'(a24,1x,es8.1)') ' viscositymodulus_RGC: ',viscModus_RGC + write(6,'(a24,1x,es8.1)') ' maxrelaxation_RGC: ',maxdRelax_RGC + write(6,'(a24,1x,es8.1)') ' maxVolDiscrepancy_RGC: ',maxVolDiscr_RGC + write(6,'(a24,1x,es8.1)') ' volDiscrepancyMod_RGC: ',volDiscrMod_RGC + write(6,'(a24,1x,es8.1,/)') ' discrepancyPower_RGC: ',volDiscrPow_RGC !-------------------------------------------------------------------------------------------------- ! Random seeding parameter - write(6,'(a24,1x,i16,/)') ' fixed_seed: ',fixedSeed - if (fixedSeed <= 0_pInt) & - write(6,'(a,/)') ' No fixed Seed: Random is random!' + write(6,'(a24,1x,i16,/)') ' fixed_seed: ',fixedSeed + if (fixedSeed <= 0_pInt) & + write(6,'(a,/)') ' No fixed Seed: Random is random!' !-------------------------------------------------------------------------------------------------- ! openMP parameter !$ write(6,'(a24,1x,i8,/)') ' number of threads: ',DAMASK_NumThreadsInt @@ -521,53 +513,52 @@ subroutine numerics_init !-------------------------------------------------------------------------------------------------- ! spectral parameters #ifdef Spectral - write(6,'(a24,1x,i8)') ' itmax: ',itmax - write(6,'(a24,1x,i8)') ' itmin: ',itmin - write(6,'(a24,1x,i8)') ' maxCutBack: ',maxCutBack - write(6,'(a24,1x,i8)') ' continueCalculation: ',continueCalculation - write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient - write(6,'(a24,1x,i8)') ' divergence_correction: ',divergence_correction - write(6,'(a24,1x,a)') ' spectral filter: ',trim(spectral_filter) - if(fftw_timelimit<0.0_pReal) then - write(6,'(a24,1x,L8)') ' fftw_timelimit: ',.false. - else - write(6,'(a24,1x,es8.1)') ' fftw_timelimit: ',fftw_timelimit - endif - write(6,'(a24,1x,a)') ' fftw_plan_mode: ',trim(fftw_plan_mode) - write(6,'(a24,1x,i8)') ' fftw_planner_flag: ',fftw_planner_flag - write(6,'(a24,1x,L8,/)') ' update_gamma: ',update_gamma - write(6,'(a24,1x,es8.1)') ' err_stress_tolAbs: ',err_stress_tolAbs - write(6,'(a24,1x,es8.1)') ' err_stress_tolRel: ',err_stress_tolRel - write(6,'(a24,1x,es8.1)') ' err_div_tolAbs: ',err_div_tolAbs - write(6,'(a24,1x,es8.1)') ' err_div_tolRel: ',err_div_tolRel - write(6,'(a24,1x,es8.1)') ' err_curl_tolAbs: ',err_curl_tolAbs - write(6,'(a24,1x,es8.1)') ' err_curl_tolRel: ',err_curl_tolRel - write(6,'(a24,1x,es8.1)') ' polarAlpha: ',polarAlpha - write(6,'(a24,1x,es8.1)') ' polarBeta: ',polarBeta - write(6,'(a24,1x,a)') ' spectral solver: ',trim(spectral_solver) - write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_options) + write(6,'(a24,1x,i8)') ' itmax: ',itmax + write(6,'(a24,1x,i8)') ' itmin: ',itmin + write(6,'(a24,1x,i8)') ' maxCutBack: ',maxCutBack + write(6,'(a24,1x,i8)') ' continueCalculation: ',continueCalculation + write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient + write(6,'(a24,1x,i8)') ' divergence_correction: ',divergence_correction + write(6,'(a24,1x,a)') ' spectral filter: ',trim(spectral_filter) + if(fftw_timelimit<0.0_pReal) then + write(6,'(a24,1x,L8)') ' fftw_timelimit: ',.false. + else + write(6,'(a24,1x,es8.1)') ' fftw_timelimit: ',fftw_timelimit + endif + write(6,'(a24,1x,a)') ' fftw_plan_mode: ',trim(fftw_plan_mode) + write(6,'(a24,1x,i8)') ' fftw_planner_flag: ',fftw_planner_flag + write(6,'(a24,1x,L8,/)') ' update_gamma: ',update_gamma + write(6,'(a24,1x,es8.1)') ' err_stress_tolAbs: ',err_stress_tolAbs + write(6,'(a24,1x,es8.1)') ' err_stress_tolRel: ',err_stress_tolRel + write(6,'(a24,1x,es8.1)') ' err_div_tolAbs: ',err_div_tolAbs + write(6,'(a24,1x,es8.1)') ' err_div_tolRel: ',err_div_tolRel + write(6,'(a24,1x,es8.1)') ' err_curl_tolAbs: ',err_curl_tolAbs + write(6,'(a24,1x,es8.1)') ' err_curl_tolRel: ',err_curl_tolRel + write(6,'(a24,1x,es8.1)') ' polarAlpha: ',polarAlpha + write(6,'(a24,1x,es8.1)') ' polarBeta: ',polarBeta + write(6,'(a24,1x,a)') ' spectral solver: ',trim(spectral_solver) + write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_options) #endif !-------------------------------------------------------------------------------------------------- ! spectral parameters #ifdef FEM - write(6,'(a24,1x,i8)') ' itmaxFEM: ',itmaxFEM - write(6,'(a24,1x,i8)') ' itminFEM: ',itminFEM - write(6,'(a24,1x,i8)') ' maxCutBackFEM: ',maxCutBackFEM - write(6,'(a24,1x,i8)') ' integrationOrder: ',integrationOrder - write(6,'(a24,1x,i8)') ' structOrder: ',structOrder - write(6,'(a24,1x,i8)') ' thermalOrder: ',thermalOrder - write(6,'(a24,1x,i8)') ' damageOrder: ',damageOrder - write(6,'(a24,1x,es8.1)') ' err_struct_tolAbs: ',err_struct_tolAbs - write(6,'(a24,1x,es8.1)') ' err_struct_tolRel: ',err_struct_tolRel - write(6,'(a24,1x,es8.1)') ' err_thermal_tol: ',err_thermal_tol - write(6,'(a24,1x,es8.1)') ' err_damage_tol: ',err_damage_tol - write(6,'(a24,1x,es8.1)') ' residualStiffness: ',residualStiffness - write(6,'(a24,1x,a)') ' PETSc_optionsFEM: ',trim(petsc_optionsFEM) + write(6,'(a24,1x,i8)') ' itmaxFEM: ',itmaxFEM + write(6,'(a24,1x,i8)') ' itminFEM: ',itminFEM + write(6,'(a24,1x,i8)') ' maxCutBackFEM: ',maxCutBackFEM + write(6,'(a24,1x,i8)') ' integrationOrder: ',integrationOrder + write(6,'(a24,1x,i8)') ' structOrder: ',structOrder + write(6,'(a24,1x,i8)') ' thermalOrder: ',thermalOrder + write(6,'(a24,1x,i8)') ' damageOrder: ',damageOrder + write(6,'(a24,1x,es8.1)') ' err_struct_tolAbs: ',err_struct_tolAbs + write(6,'(a24,1x,es8.1)') ' err_struct_tolRel: ',err_struct_tolRel + write(6,'(a24,1x,es8.1)') ' err_thermal_tol: ',err_thermal_tol + write(6,'(a24,1x,es8.1)') ' err_damage_tol: ',err_damage_tol + write(6,'(a24,1x,es8.1)') ' residualStiffness: ',residualStiffness + write(6,'(a24,1x,a)') ' PETSc_optionsFEM: ',trim(petsc_optionsFEM) #endif -#ifdef FEM - endif -#endif + endif mainProcess3 + !-------------------------------------------------------------------------------------------------- ! sanity checks diff --git a/code/prec.f90 b/code/prec.f90 index 7fb5025ae..052a7e765 100644 --- a/code/prec.f90 +++ b/code/prec.f90 @@ -96,29 +96,28 @@ subroutine prec_init use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) implicit none -#ifdef FEM + integer(pInt) :: worldrank = 0_pInt +#ifdef PETSc #include - PetscInt :: worldrank PetscErrorCode :: ierr #endif external :: & quit -#ifdef FEM +#ifdef PETSc call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr) - if (worldrank == 0) then -#endif - write(6,'(/,a)') ' <<<+- prec init -+>>>' - write(6,'(a)') ' $Id$' +#endif + + mainProcess: if (worldrank == 0) then + write(6,'(/,a)') ' <<<+- prec init -+>>>' + write(6,'(a)') ' $Id$' #include "compilation_info.f90" - write(6,'(a,i3)') ' Bytes for pReal: ',pReal - write(6,'(a,i3)') ' Bytes for pInt: ',pInt - write(6,'(a,i3)') ' Bytes for pLongInt: ',pLongInt - write(6,'(a,e10.3)') ' NaN: ', DAMASK_NaN - write(6,'(a,l3,/)') ' NaN /= NaN: ',DAMASK_NaN/=DAMASK_NaN -#ifdef FEM - endif -#endif + write(6,'(a,i3)') ' Bytes for pReal: ',pReal + write(6,'(a,i3)') ' Bytes for pInt: ',pInt + write(6,'(a,i3)') ' Bytes for pLongInt: ',pLongInt + write(6,'(a,e10.3)') ' NaN: ', DAMASK_NaN + write(6,'(a,l3,/)') ' NaN /= NaN: ',DAMASK_NaN/=DAMASK_NaN + endif mainProcess if (DAMASK_NaN == DAMASK_NaN) call quit(9000)