moved all routines from postprocessingMath to math.90, renamed the module to DAMASK, changed scripts and interfaces accordingly.
polished math.f90 (mainly added _pInt/_pReal and intent(in/out)) curl_fft is still a dummy function
This commit is contained in:
Martin Diehl
parent
1f1046ecc5
commit
ace6851389
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@ -0,0 +1,63 @@
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! Copyright 2011 Max-Planck-Institut für Eisenforschung GmbH
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!
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! This file is part of DAMASK,
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! the Düsseldorf Advanced MAterial Simulation Kit.
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!
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! DAMASK is free software: you can redistribute it and/or modify
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! it under the terms of the GNU General Public License as published by
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! the Free Software Foundation, either version 3 of the License, or
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! (at your option) any later version.
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!
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! DAMASK is distributed in the hope that it will be useful,
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! but WITHOUT ANY WARRANTY; without even the implied warranty of
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! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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! GNU General Public License for more details.
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!
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! You should have received a copy of the GNU General Public License
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! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
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!
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!##############################################################
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!* $Id: prec.f90 1033 2011-10-20 16:46:11Z MPIE\m.diehl $
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!##############################################################
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MODULE prec
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implicit none
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! *** Precision of real and integer variables for python interfacing***
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integer, parameter :: pReal = selected_real_kind(8)
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integer, parameter :: pInt = selected_int_kind(9) ! up to +- 1e9
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real(pReal), parameter :: DAMASK_NaN = Z'7FF0000000000001'
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real(pReal), parameter :: tol_math_check = 1.0e-8_pReal
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END MODULE prec
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MODULE debug
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use prec, only: pInt
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implicit none
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integer(pInt), parameter :: debug_verbosity = 0_pInt
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END MODULE debug
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MODULE numerics
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use prec, only: pInt
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implicit none
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real*8, parameter :: fftw_timelimit = -1.0
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integer*8, parameter :: fftw_planner_flag = 32
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integer(pInt), parameter :: fixedSeed = 1_pInt
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END MODULE numerics
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MODULE IO
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CONTAINS
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subroutine IO_error(error_ID,e,i,g,ext_msg)
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use prec, only: pInt
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implicit none
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integer(pInt), intent(in) :: error_ID
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integer(pInt), optional, intent(in) :: e,i,g
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character(len=*), optional, intent(in) :: ext_msg
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character(len=1024) msg
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select case (error_ID)
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case default
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print*, 'Error messages not supported when interfacing to Python'
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end select
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end subroutine IO_error
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END MODULE IO
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@ -46,7 +46,7 @@ program DAMASK_spectral
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!********************************************************************
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use DAMASK_interface
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use prec, only: pInt, pReal
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use prec, only: pInt, pReal, DAMASK_NaN
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use IO
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use debug, only: spectral_debug_verbosity
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use math
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@ -124,7 +124,6 @@ program DAMASK_spectral
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real(pReal), dimension(:,:,:,:), allocatable :: xi ! wave vector field
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integer(pInt), dimension(3) :: k_s
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integer*8, dimension(3) :: fftw_plan ! plans for fftw (forward and backward)
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integer*8 :: fftw_flag ! planner flag for fftw
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! loop variables, convergence etc.
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real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc ! elapsed time, begin of interval, time interval
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@ -424,21 +423,8 @@ program DAMASK_spectral
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call dfftw_plan_with_nthreads(DAMASK_NumThreadsInt)
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endif
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#endif
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call dfftw_set_timelimit(fftw_timelimit) ! is not working, have to fix it in FFTW source file
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select case(IO_lc(fftw_planner_flag)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
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case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
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fftw_flag = 64
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case('measure','fftw_measure')
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fftw_flag = 0
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case('patient','fftw_patient')
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fftw_flag= 32
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case('exhaustive','fftw_exhaustive')
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fftw_flag = 8
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case default
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call IO_warning(warning_ID=47_pInt,ext_msg=trim(IO_lc(fftw_planner_flag)))
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fftw_flag = 32
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end select
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!*************************************************************
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call dfftw_set_timelimit(fftw_timelimit)
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!*************************************************************
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! Loop over loadcases defined in the loadcase file
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do loadcase = 1_pInt, N_Loadcases
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!*************************************************************
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@ -509,14 +495,14 @@ program DAMASK_spectral
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wgt = 1.0_pReal/real(res(1)*res(2)*res(3), pReal)
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call dfftw_plan_many_dft_r2c(fftw_plan(1),3,(/res(1),res(2),res(3)/),9,&
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workfft,(/res(1) +2_pInt,res(2),res(3)/),1,(res(1) +2_pInt)*res(2)*res(3),&
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workfft,(/res(1)/2_pInt+1_pInt,res(2),res(3)/),1,(res(1)/2_pInt+1_pInt)*res(2)*res(3),fftw_flag)
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workfft,(/res(1)/2_pInt+1_pInt,res(2),res(3)/),1,(res(1)/2_pInt+1_pInt)*res(2)*res(3),fftw_planner_flag)
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call dfftw_plan_many_dft_c2r(fftw_plan(2),3,(/res(1),res(2),res(3)/),9,&
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workfft,(/res(1)/2_pInt+1_pInt,res(2),res(3)/),1,(res(1)/2_pInt+1_pInt)*res(2)*res(3),&
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workfft,(/res(1) +2_pInt,res(2),res(3)/),1,(res(1) +2_pInt)*res(2)*res(3),fftw_flag)
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workfft,(/res(1) +2_pInt,res(2),res(3)/),1,(res(1) +2_pInt)*res(2)*res(3),fftw_planner_flag)
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if (debugDivergence) &
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call dfftw_plan_many_dft_c2r(fftw_plan(3),3,(/res(1),res(2),res(3)/),3,&
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divergence,(/res(1)/2_pInt+1_pInt,res(2),res(3)/),1,(res(1)/2_pInt+1_pInt)*res(2)*res(3),&
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divergence,(/res(1) +2_pInt,res(2),res(3)/),1,(res(1) +2_pInt)*res(2)*res(3),fftw_flag)
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divergence,(/res(1) +2_pInt,res(2),res(3)/),1,(res(1) +2_pInt)*res(2)*res(3),fftw_planner_flag)
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if (debugGeneral) then
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!$OMP CRITICAL (write2out)
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write (6,*) 'FFTW initialized'
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2373
code/math.f90
2373
code/math.f90
File diff suppressed because it is too large
Load Diff
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@ -23,6 +23,7 @@ MODULE numerics
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!##############################################################
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use prec, only: pInt, pReal
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use IO, only: IO_warning
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implicit none
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character(len=64), parameter :: numerics_configFile = 'numerics.config' ! name of configuration file
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@ -69,7 +70,8 @@ real(pReal) :: relevantStrain, & ! strain
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err_stress_tolrel, & ! factor to multiply with highest stress to get err_stress_tol
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fftw_timelimit, & ! sets the timelimit of plan creation for FFTW, see manual on www.fftw.org
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rotation_tol ! tolerance of rotation specified in loadcase
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character(len=64) :: fftw_planner_flag ! sets the planig-rigor flag, see manual on www.fftw.org
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character(len=64) :: fftw_planner_string ! reads the planing-rigor flag, see manual on www.fftw.org
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integer*8 :: fftw_planner_flag ! conversion of fftw_planner_string to integer, basically what is usually done in the include file of fftw
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logical :: memory_efficient,& ! for fast execution (pre calculation of gamma_hat)
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divergence_correction ! correct divergence calculation in fourier space
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integer(pInt) :: itmax , & ! maximum number of iterations
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@ -170,7 +172,7 @@ subroutine numerics_init()
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itmax = 20_pInt ! Maximum iteration number
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memory_efficient = .true. ! Precalculate Gamma-operator (81 double per point)
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fftw_timelimit = -1.0_pReal ! no timelimit of plan creation for FFTW
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fftw_planner_flag ='FFTW_PATIENT'
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fftw_planner_string ='FFTW_PATIENT'
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rotation_tol = 1.0e-12
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divergence_correction = .true.
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!* Random seeding parameters
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@ -286,8 +288,8 @@ subroutine numerics_init()
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memory_efficient = IO_intValue(line,positions,2) > 0_pInt
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case ('fftw_timelimit')
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fftw_timelimit = IO_floatValue(line,positions,2)
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case ('fftw_planner_flag')
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fftw_planner_flag = IO_stringValue(line,positions,2)
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case ('fftw_planner_string')
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fftw_planner_string = IO_stringValue(line,positions,2)
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case ('rotation_tol')
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rotation_tol = IO_floatValue(line,positions,2)
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case ('divergence_correction')
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@ -309,6 +311,19 @@ subroutine numerics_init()
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!$OMP END CRITICAL (write2out)
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endif
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select case(IO_lc(fftw_planner_string)) ! setting parameters for the plan creation of FFTW. Basically a translation from fftw3.f
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case('estimate','fftw_estimate') ! ordered from slow execution (but fast plan creation) to fast execution
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fftw_planner_flag = 64
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case('measure','fftw_measure')
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fftw_planner_flag = 0
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case('patient','fftw_patient')
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fftw_planner_flag= 32
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case('exhaustive','fftw_exhaustive')
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fftw_planner_flag = 8
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case default
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call IO_warning(warning_ID=47_pInt,ext_msg=trim(IO_lc(fftw_planner_string)))
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fftw_planner_flag = 32
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end select
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! writing parameters to output file
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!$OMP CRITICAL (write2out)
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@ -360,7 +375,8 @@ subroutine numerics_init()
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else
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write(6,'(a24,x,e8.1)') ' fftw_timelimit: ',fftw_timelimit
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endif
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write(6,'(a24,x,a)') ' fftw_planner_flag: ',trim(fftw_planner_flag)
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write(6,'(a24,x,a)') ' fftw_planner_string: ',trim(fftw_planner_string)
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write(6,'(a24,x,i8)') ' fftw_planner_flag: ',fftw_planner_flag
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write(6,'(a24,x,e8.1)') ' rotation_tol: ',rotation_tol
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write(6,'(a24,x,L8,/)') ' divergence_correction: ',divergence_correction
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@ -30,7 +30,7 @@ integer, parameter :: pInt = selected_int_kind(9) ! up to +- 1e9
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integer, parameter :: pLongInt = 8 ! should be 64bit
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real(pReal), parameter :: tol_math_check = 1.0e-8_pReal
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real(pReal), parameter :: tol_gravityNodePos = 1.0e-100_pReal
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! NaN is precistion dependent
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! NaN is precision dependent
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! from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html
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! copy found in documentation/Code/Fortran
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real(pReal), parameter :: DAMASK_NaN = Z'7FF0000000000001'
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@ -5,7 +5,7 @@
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# As it reads in the data coming from "materialpoint_results", it can be adopted to the data
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# computed using the FEM solvers. Its capable to handle elements with one IP in a regular order
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import os,sys,threading,re,numpy,time,string,postprocessingMath
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import os,sys,threading,re,numpy,time,string,DAMASK
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from optparse import OptionParser, OptionGroup, Option, SUPPRESS_HELP
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# -----------------------------
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@ -412,18 +412,16 @@ for filename in args:
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dim[2] = options.unitlength
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if options.undeformed:
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defgrad_av = numpy.eye(3)
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else: # @Martin: why do we have to reshape this data when just averaging??
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defgrad_av = postprocessingMath.tensor_avg(res[0],res[1],res[2],\
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numpy.reshape(values[:,column['tensor'][options.defgrad]:
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column['tensor'][options.defgrad]+9],
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(res[0],res[1],res[2],3,3)))
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else:
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defgrad_av = DAMASK.math.tensor_avg(res,numpy.reshape(values[:,column['tensor'][options.defgrad]:
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column['tensor'][options.defgrad]+9],
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(res[0],res[1],res[2],3,3)))
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# @Martin: any reason for having 3 args for res but a single vector arg for dim?
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centroids = postprocessingMath.deformed_fft(res[0],res[1],res[2],dim,\
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numpy.reshape(values[:,column['tensor'][options.defgrad]:
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column['tensor'][options.defgrad]+9],
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(res[0],res[1],res[2],3,3)),defgrad_av,options.scaling)
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ms = postprocessingMath.mesh(res[0],res[1],res[2],dim,defgrad_av,centroids)
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centroids = DAMASK.math.deformed_fft(res,dim,defgrad_av,options.scaling,
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numpy.reshape(values[:,column['tensor'][options.defgrad]:
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column['tensor'][options.defgrad]+9],
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(res[0],res[1],res[2],3,3)))
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ms = DAMASK.math.mesh_regular_grid(res,dim,defgrad_av,centroids)
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fields = {\
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'tensor': {},\
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@ -0,0 +1,160 @@
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! $Id: postprocessingMath.pyf 979 2011-08-25 18:18:38Z MPIE\m.diehl $
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! -*- f90 -*-
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! Note: the context of this file is case sensitive.
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! This file was auto-generated with f2py (version:2_5972).
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! See http://cens.ioc.ee/projects/f2py2e/
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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! The auto-generated file is quite heavily corrected
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! For modifying, notice the following hints:
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! - if the dimension of an array depend on a array that is itself an input, use the C-Syntax: (1) becomes [0] etc.
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! - be sure that the precision defined for math.f90 is integer, real*8, and complex*16
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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python module DAMASK ! in
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interface ! in :DAMASK
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module math ! in :math:math.f90
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subroutine volume_compare(res,geomdim,defgrad,nodes,volume_mismatch) ! in :math:math.f90
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! input variables
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integer, dimension(3), intent(in) :: res
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real*8, dimension(3), intent(in) :: geomdim
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real*8, dimension(res[0], res[1], res[2], 3,3),intent(in), depend(res[0],res[1],res[2]) :: defgrad
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real*8, dimension(res[0]+1,res[1]+1,res[2]+1,3), intent(in), depend(res[0],res[1],res[2]) :: nodes
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! output variables
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real*8, dimension(res[0], res[1], res[2]), intent(out), depend(res[0],res[1],res[2])) :: volume_mismatch
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end subroutine volume_compare
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subroutine shape_compare(res,geomdim,defgrad,nodes,centroids,shape_mismatch) ! in :math:math.f90
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! input variables
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integer, dimension(3), intent(in) :: res
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real*8, dimension(3), intent(in) :: geomdim
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real*8, dimension(res[0], res[1], res[2], 3,3),intent(in), depend(res[0],res[1],res[2]) :: defgrad
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real*8, dimension(res[0]+1,res[1]+1,res[2]+1,3), intent(in), depend(res[0],res[1],res[2]) :: nodes
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real*8, dimension(res[0], res[1], res[2], 3), intent(in), depend(res[0],res[1],res[2]) :: centroids
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! output variables
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real*8, dimension(res[0], res[1], res[2]), intent(out), depend(res[0],res[1],res[2])) :: shape_mismatch
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end subroutine shape_compare
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subroutine mesh_regular_grid(res,geomdim,defgrad_av,centroids,nodes) ! in :math:math.f90
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! input variables
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integer, dimension(3), intent(in) :: res
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real*8, dimension(3), intent(in) :: geomdim
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real*8, dimension(3,3), intent(in) :: defgrad_av
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real*8, dimension(res[0], res[1], res[2], 3), intent(in), depend(res[0],res[1],res[2]) :: centroids
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! output variables
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real*8, dimension(res[0]+1,res[1]+1,res[2]+1,3), intent(out), depend(res[0],res[1],res[2]) :: nodes
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! variables with dimension depending on input
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real*8, dimension(res[0]+2,res[1]+2,res[2]+2,3), depend(res[0],res[1],res[2]) :: wrappedCentroids
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end subroutine mesh_regular_grid
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subroutine deformed_linear(res,geomdim,defgrad_av,defgrad,coord_avgCorner) ! in :math:math.f90
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! input variables
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integer, dimension(3), intent(in) :: res
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real*8, dimension(3), intent(in) :: geomdim
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real*8, dimension(3,3), intent(in) :: defgrad_av
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real*8, dimension(res[0], res[1], res[2], 3,3),intent(in), depend(res[0],res[1],res[2]) :: defgrad
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! output variables
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real*8, dimension(res[0], res[1], res[2], 3), intent(out), depend(res[0],res[1],res[2]) :: coord_avgCorner
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! variables with dimension depending on input
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real*8, dimension(8,6,res[0],res[1],res[2],3), depend(res[0],res[1],res[2]) :: coord
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real*8, dimension(8,res[0],res[1],res[2],3), depend(res[0],res[1],res[2]) :: coord_avgOrder
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end subroutine deformed_linear
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subroutine deformed_fft(res,geomdim,defgrad_av,scaling,defgrad,coords) ! in :math:math.f90
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! input variables
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integer, dimension(3), intent(in) :: res
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real*8, dimension(3), intent(in) :: geomdim
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real*8, dimension(3,3), intent(in) :: defgrad_av
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real*8, intent(in) :: scaling
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real*8, dimension(res[0], res[1], res[2], 3,3),intent(in), depend(res[0],res[1],res[2]) :: defgrad
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! output variables
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real*8, dimension(res[0], res[1], res[2], 3), intent(out), depend(res[0],res[1],res[2]) :: coords
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! variables with dimension depending on input
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complex*16, dimension(res[0]/2+1,res[1],res[2],3), depend(res[0],res[1],res[2]) :: coords_fft
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complex*16, dimension(res[0],res[1],res[2],3,3), depend(res[0],res[1],res[2]) :: defgrad_fft
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end subroutine deformed_fft
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subroutine curl_fft(res,geomdim,vec_tens,field,curl_fft) ! in :math:math.f90
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! input variables
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integer, dimension(3), intent(in) :: res
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real*8, dimension(3), intent(in) :: geomdim
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integer, intent(in) :: vec_tens
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real*8, dimension(res[0], res[1], res[2], 3,vec_tens), intent(in), depend(res[0],res[1],res[2],vec_tens) :: field
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||||
! output variables
|
||||
real*8, dimension(res[0], res[1], res[2], 3,vec_tens), intent(out), depend(res[0],res[1],res[2],vec_tens) :: curl_field
|
||||
! variables with dimension depending on input
|
||||
complex*16, dimension(res[0], res[1],res[2],3,vec_tens), depend(res[0],res[1],res[2],vec_tens) :: field_fft
|
||||
complex*16, dimension(res[0]/2+1,res[1],res[2],3,vec_tens), depend(res[0],res[1],res[2],vec_tens) :: curl_field_fft
|
||||
real*8, dimension(res[0]/2+1,res[1],res[2],3), depend(res[0],res[1],res[2]) :: xi
|
||||
end subroutine curl_fft
|
||||
|
||||
subroutine divergence_fft(res,geomdim,vec_tens,field,divergence_field) ! in :math:math.f90
|
||||
! input variables
|
||||
integer, dimension(3), intent(in) :: res
|
||||
real*8, dimension(3), intent(in) :: geomdim
|
||||
integer, intent(in) :: vec_tens
|
||||
real*8, dimension(res[0], res[1], res[2], 3,vec_tens), intent(in), depend(res[0],res[1],res[2],vec_tens) :: field
|
||||
! output variables
|
||||
real*8, dimension(res[0], res[1], res[2], vec_tens), intent(out), depend(res[0],res[1],res[2],vec_tens) :: divergence_field
|
||||
! variables with dimension depending on input
|
||||
complex*16, dimension(res[0], res[1],res[2],vec_tens,3),i depend(res[0],res[1],res[2],vec_tens) :: field_fft
|
||||
complex*16, dimension(res[0]/2+1,res[1],res[2],vec_tens), depend(res[0],res[1],res[2],vec_tens) :: divergence_field_fft
|
||||
real*8, dimension(res[0]/2+1,res[1],res[2],3), depend(res[0],res[1],res[2],3) :: xi
|
||||
end subroutine divergence_fft
|
||||
|
||||
subroutine divergence_fdm(res,geomdim,vec_tens,order,field,divergence_field) ! in :math:math.f90
|
||||
! input variables
|
||||
integer dimension(3), intent(in) :: res
|
||||
real*8 dimension(3), intent(in) :: geomdim
|
||||
integer intent(in) :: vec_tens
|
||||
integer, intent(in) :: order
|
||||
real*8 dimension(res[0], res[1], res[2], 3,vec_tens), intent(in), depend(res[0],res[1],res[2],vec_tens) :: field
|
||||
! output variables
|
||||
real*8 dimension(res[0], res[1], res[2], vec_tens), intent(out), depend(res[0],res[1],res[2],vec_tens) :: divergence_field
|
||||
end subroutine divergence_fdm
|
||||
|
||||
subroutine tensor_avg(res,tensor,avg) ! in :math:math.f90
|
||||
! input variables
|
||||
integer dimension(3), intent(in) :: res
|
||||
real*8 dimension(res[0],res[1],res[2],3,3), intent(in), depend(res[0],res[1],res[2]) :: tensor
|
||||
! output variables
|
||||
real*8 dimension(3,3), intent(out) :: avg
|
||||
end subroutine tensor_avg
|
||||
|
||||
subroutine logstrain_mat(res,defgrad,logstrain_field) ! in :math:math.f90
|
||||
! input variables
|
||||
integer, dimension(3), intent(in) :: res
|
||||
real*8, dimension(res[0],res[1],res[2],3,3), intent(in), depend(res[0],res[1],res[2]) :: defgrad
|
||||
! output variables
|
||||
real*8, dimension(res[0],res[1],res[2],3,3), intent(out), depend(res[0],res[1],res[2]) :: logstrain_field
|
||||
end subroutine logstrain_mat
|
||||
|
||||
subroutine logstrain_spat(res,defgrad,logstrain_field) ! in :math:math.f90
|
||||
! input variables
|
||||
integer, dimension(3), intent(in) :: res
|
||||
real*8, dimension(res[0],res[1],res[2],3,3), intent(in), depend(res[0],res[1],res[2]) :: defgrad
|
||||
! output variables
|
||||
real*8, dimension(res[0],res[1],res[2],3,3), intent(out), depend(res[0],res[1],res[2]) :: logstrain_field
|
||||
end subroutine logstrain_spat
|
||||
|
||||
subroutine calculate_cauchy(res,defgrad,p_stress,c_stress) ! in :math:math.f90
|
||||
! input variables
|
||||
integer, dimension(3), intent(in) :: res
|
||||
real*8, dimension(res[0],res[1],res[2],3,3), intent(in), depend(res[0],res[1],res[2]) :: defgrad
|
||||
real*8, dimension(res[0],res[1],res[2],3,3), intent(in), depend(res[0],res[1],res[2]) :: p_stress
|
||||
! output variables
|
||||
real*8, dimension(res[0],res[1],res[2],3,3), intent(out), depend(res[0],res[1],res[2]) :: c_stress
|
||||
end subroutine calculate_cauchy
|
||||
|
||||
subroutine math_equivStrain33_field(res,tensor,vm) ! in :math:math.f90
|
||||
! input variables
|
||||
integer, dimension(3), intent(in) :: res
|
||||
real*8, dimension(res[0],res[1],res[2],3,3),intent(in),depend(res[0],res[1],res[2]) :: tensor
|
||||
! output variables
|
||||
real*8, dimension(res[0],res[1],res[2]),intent(out),depend(res[0],res[1],res[2]) :: vm
|
||||
end subroutine math_equivStrain33_field
|
||||
end module math
|
||||
end interface
|
||||
end python module DAMASK
|
||||
|
||||
|
|
@ -1,6 +1,6 @@
|
|||
#!/usr/bin/python
|
||||
|
||||
import os,re,sys,math,string,numpy,postprocessingMath
|
||||
import os,re,sys,math,string,numpy,DAMASK
|
||||
from optparse import OptionParser, Option
|
||||
|
||||
# -----------------------------
|
||||
|
|
@ -161,11 +161,12 @@ for file in files:
|
|||
= numpy.array(map(float,items[column[datatype][label]:
|
||||
column[datatype][label]+datainfo[datatype]['len']]),'d').reshape(3,3)
|
||||
idx += 1
|
||||
defgrad_av[label] = postprocessingMath.tensor_avg(options.res[0],options.res[1],options.res[2],defgrad[label])
|
||||
centroids[label] = postprocessingMath.deformed_fft(options.res[0],options.res[1],options.res[2],options.dim,defgrad[label],defgrad_av[label],1.0)
|
||||
nodes[label] = postprocessingMath.mesh(options.res[0],options.res[1],options.res[2],options.dim,defgrad_av[label],centroids[label])
|
||||
if options.shape: shape_mismatch[label] = postprocessingMath.shape_compare( options.res[0],options.res[1],options.res[2],options.dim,nodes[label],centroids[label],defgrad[label])
|
||||
if options.volume: volume_mismatch[label] = postprocessingMath.volume_compare(options.res[0],options.res[1],options.res[2],options.dim,nodes[label], defgrad[label])
|
||||
print options.res
|
||||
defgrad_av[label] = DAMASK.math.tensor_avg(options.res,defgrad[label])
|
||||
centroids[label] = DAMASK.math.deformed_fft(options.res,options.dim,defgrad_av[label],1.0,defgrad[label])
|
||||
nodes[label] = DAMASK.math.mesh_regular_grid(options.res,options.dim,defgrad_av[label],centroids[label])
|
||||
if options.shape: shape_mismatch[label] = DAMASK.math.shape_compare( options.res,options.dim,defgrad[label],nodes[label],centroids[label])
|
||||
if options.volume: volume_mismatch[label] = DAMASK.math.volume_compare(options.res,options.dim,defgrad[label],nodes[label])
|
||||
|
||||
# ------------------------------------------ read file ---------------------------------------
|
||||
|
||||
|
|
|
|||
|
|
@ -1,6 +1,6 @@
|
|||
#!/usr/bin/python
|
||||
|
||||
import os,re,sys,math,string,numpy,postprocessingMath
|
||||
import os,re,sys,math,string,numpy,DAMASK
|
||||
from optparse import OptionParser, Option
|
||||
|
||||
# -----------------------------
|
||||
|
|
@ -21,24 +21,19 @@ class extendableOption(Option):
|
|||
else:
|
||||
Option.take_action(self, action, dest, opt, value, values, parser)
|
||||
|
||||
|
||||
|
||||
def location(idx,res):
|
||||
|
||||
return ( idx % res[0], \
|
||||
(idx // res[0]) % res[1], \
|
||||
(idx // res[0] // res[1]) % res[2] )
|
||||
(idx // res[0]) % res[1], \
|
||||
(idx // res[0] // res[1]) % res[2] )
|
||||
|
||||
def index(location,res):
|
||||
|
||||
return ( location[0] % res[0] + \
|
||||
(location[1] % res[1]) * res[0] + \
|
||||
(location[2] % res[2]) * res[0] * res[1] )
|
||||
return ( location[0] % res[0] + \
|
||||
(location[1] % res[1]) * res[0] + \
|
||||
(location[2] % res[2]) * res[0] * res[1] )
|
||||
|
||||
def prefixMultiply(what,len):
|
||||
|
||||
return {True: ['%i_%s'%(i+1,what) for i in range(len)],
|
||||
False:[what]}[len>1]
|
||||
False:[what]}[len>1]
|
||||
|
||||
|
||||
# --------------------------------------------------------------------
|
||||
|
|
@ -205,7 +200,6 @@ for file in files:
|
|||
continue
|
||||
|
||||
output += '\t'.join(items)
|
||||
|
||||
(x,y,z) = location(idx,options.res)
|
||||
|
||||
for datatype,labels in active.items():
|
||||
|
|
@ -252,9 +246,9 @@ for file in files:
|
|||
reshape((options.res[0],options.res[1],options.res[2],\
|
||||
datainfo[datatype]['len']//3))
|
||||
if accuracy == 'fft':
|
||||
div_field[datatype][label][accuracy] = postprocessingMath.divergence_fft(options.res[0],options.res[1],options.res[2],datainfo[datatype]['len']//3,options.dim,values[datatype][label])
|
||||
div_field[datatype][label][accuracy] = DAMASK.math.divergence_fft(options.res,options.dim,datainfo[datatype]['len']//3,values[datatype][label])
|
||||
else:
|
||||
div_field[datatype][label][accuracy] = postprocessingMath.divergence(options.res[0],options.res[1],options.res[2],datainfo[datatype]['len']//3,eval(accuracy)//2-1,options.dim,values[datatype][label])
|
||||
div_field[datatype][label][accuracy] = DAMASK.math.divergence_fdm(options.res,options.dim,datainfo[datatype]['len']//3,eval(accuracy)//2-1,values[datatype][label])
|
||||
|
||||
idx = 0
|
||||
for line in data:
|
||||
|
|
|
|||
|
|
@ -0,0 +1,26 @@
|
|||
#!/bin/bash
|
||||
|
||||
# $Id: make_postprocessingMath 1106 2011-11-17 21:36:56Z MPIE\m.diehl $
|
||||
|
||||
# This script is used to compile math.f90 and make the functions defined in DAMASK_math.pyf
|
||||
# avialable for python in the module DAMASK_math.so
|
||||
# It uses the fortran wrapper f2py that is included in the numpy package to construct the
|
||||
# module postprocessingMath.so out of the fortran code postprocessingMath.f90
|
||||
# for the generation of the pyf file:
|
||||
#f2py -m DAMASK -h DAMASK.pyf --overwrite-signature ../../code/math.f90 \
|
||||
|
||||
if [[ $# -eq 0 ]]; then
|
||||
wd='.'
|
||||
else
|
||||
wd=$1
|
||||
fi
|
||||
# use env. variables here!
|
||||
cd $wd
|
||||
rm ../../lib/DAMASK.so
|
||||
f2py -c \
|
||||
DAMASK.pyf \
|
||||
../../code/DAMASK2Python_helper.f90 \
|
||||
../../code/math.f90 \
|
||||
../../lib/libfftw3.a \
|
||||
/opt/acml4.4.0/ifort64/lib/libacml.a
|
||||
mv DAMASK.so ../../lib/.
|
||||
|
|
@ -1,27 +0,0 @@
|
|||
#!/bin/bash
|
||||
|
||||
# $Id$
|
||||
|
||||
# This script is used to compile the python module used for geometry reconstruction.
|
||||
# It uses the fortran wrapper f2py that is included in the numpy package to construct the
|
||||
# module postprocessingMath.so out of the fortran code postprocessingMath.f90
|
||||
|
||||
# for the generation of the pyf file:
|
||||
# f2py -m postprocessingMath -h postprocessingMath.pyf --overwrite-signature postprocessingMath.f90
|
||||
|
||||
# use ./configure --enable-sse2 --enable-shared for the compilation of fftw3.3
|
||||
|
||||
if [[ $# -eq 0 ]]; then
|
||||
wd='.'
|
||||
else
|
||||
wd=$1
|
||||
fi
|
||||
|
||||
cd $wd
|
||||
rm ../../lib/postprocessingMath.so
|
||||
f2py -c \
|
||||
postprocessingMath.pyf \
|
||||
postprocessingMath.f90 \
|
||||
../../lib/libfftw3.a \
|
||||
-L./
|
||||
mv postprocessingMath.so ../../lib/.
|
||||
File diff suppressed because it is too large
Load Diff
|
|
@ -1,188 +0,0 @@
|
|||
! $Id$
|
||||
! -*- f90 -*-
|
||||
! Note: the context of this file is case sensitive.
|
||||
python module postprocessingMath ! in
|
||||
interface ! in :postprocessingMath
|
||||
module math ! in :postprocessingMath:postprocessingMath.f90
|
||||
real*8 parameter,optional,dimension(3,3) :: math_i3=reshape((/1.0,0.0,0.0,0.0,1.0,0.0,0.0,0.0,1.0/),(/3,3/))
|
||||
real*8 parameter,optional :: pi=3.14159265359
|
||||
function math_mul33x33(a,b) ! in :postprocessingMath:postprocessingMath.f90:math
|
||||
real*8 dimension(3,3),intent(in) :: a
|
||||
real*8 dimension(3,3),intent(in) :: b
|
||||
real*8 dimension(3,3) :: math_mul33x33
|
||||
end function math_mul33x33
|
||||
subroutine math_invert3x3(a,inva,deta,error) ! in :postprocessingMath:postprocessingMath.f90:math
|
||||
real*8 dimension(3,3),intent(in) :: a
|
||||
real*8 dimension(3,3),intent(out) :: inva
|
||||
real*8 intent(out) :: deta
|
||||
logical intent(out) :: error
|
||||
end subroutine math_invert3x3
|
||||
function math_det3x3(m) ! in :postprocessingMath:postprocessingMath.f90:math
|
||||
real*8 dimension(3,3),intent(in) :: m
|
||||
real*8 :: math_det3x3
|
||||
end function math_det3x3
|
||||
subroutine math_pdecomposition(fe,u,r,error) ! in :postprocessingMath:postprocessingMath.f90:math
|
||||
real*8 dimension(3,3),intent(in) :: fe
|
||||
real*8 dimension(3,3),intent(out) :: u
|
||||
real*8 dimension(3,3),intent(out) :: r
|
||||
logical intent(out) :: error
|
||||
end subroutine math_pdecomposition
|
||||
function math_inv3x3(a) ! in :postprocessingMath:postprocessingMath.f90:math
|
||||
real*8 dimension(3,3),intent(in) :: a
|
||||
real*8 dimension(3,3) :: math_inv3x3
|
||||
end function math_inv3x3
|
||||
subroutine math_hi(m,hi1m,hi2m,hi3m) ! in :postprocessingMath:postprocessingMath.f90:math
|
||||
real*8 dimension(3,3),intent(in) :: m
|
||||
real*8 intent(out) :: hi1m
|
||||
real*8 intent(out) :: hi2m
|
||||
real*8 intent(out) :: hi3m
|
||||
end subroutine math_hi
|
||||
subroutine math_spectral1(m,ew1,ew2,ew3,eb1,eb2,eb3) ! in :postprocessingMath:postprocessingMath.f90:math
|
||||
real*8 dimension(3,3),intent(in) :: m
|
||||
real*8 intent(out) :: ew1
|
||||
real*8 intent(out) :: ew2
|
||||
real*8 intent(out) :: ew3
|
||||
real*8 dimension(3,3),intent(out) :: eb1
|
||||
real*8 dimension(3,3),intent(out) :: eb2
|
||||
real*8 dimension(3,3),intent(out) :: eb3
|
||||
end subroutine math_spectral1
|
||||
function math_volTetrahedron(v1,v2,v3,v4) ! in :postprocessingMath:postprocessingMath.f90:math
|
||||
real*8 dimension(3), intent(in) :: v1
|
||||
real*8 dimension(3), intent(in) :: v2
|
||||
real*8 dimension(3), intent(in) :: v3
|
||||
real*8 dimension(3), intent(in) :: v4
|
||||
end function math_volTetrahedron
|
||||
function mesh_location(idx,resolution) ! in :postprocessingMath:postprocessingMath.f90:math
|
||||
integer, intent(in) :: idx
|
||||
integer dimension(3), intent(in) :: resolution
|
||||
integer dimension(3) :: mesh_location
|
||||
end function mesh_location
|
||||
function mesh_index(location,resolution) ! in :postprocessingMath:postprocessingMath.f90:math
|
||||
integer dimension(3), intent(in) :: resolution
|
||||
integer dimension(3), intent(in) :: location
|
||||
integer :: mesh_index
|
||||
end function mesh_location
|
||||
end module math
|
||||
subroutine mesh(res_x,res_y,res_z,geomdim,defgrad_av,centroids,nodes) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
real*8 dimension(3),intent(in) :: geomdim
|
||||
real*8 dimension(3,3),intent(in) :: defgrad_av
|
||||
real*8 dimension(res_x,res_y,res_z,3),intent(in),depend(res_x,res_y,res_z) :: centroids
|
||||
real*8 dimension(res_x + 2,res_y + 2,res_z +2 ,3),depend(res_x,res_y,res_z) :: centroids
|
||||
real*8 dimension(res_x + 1,res_y + 1,res_z + 1,3),intent(out),depend(res_x,res_y,res_z) :: nodes
|
||||
end subroutine mesh
|
||||
subroutine deformed(res_x,res_y,res_z,geomdim,defgrad,defgrad_av,coord_avgCorner) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
real*8 dimension(3),intent(in) :: geomdim
|
||||
real*8 dimension(3,3),intent(in) :: defgrad_av
|
||||
real*8 dimension(res_x,res_y,res_z,3),intent(out),depend(res_x,res_y,res_z) :: coord_avgCorner
|
||||
real*8 dimension(8,6,res_x,res_y,res_z,3),depend(res_x,res_y,res_z) :: coord
|
||||
real*8 dimension(8,res_x,res_y,res_z,3),depend(res_x,res_y,res_z) :: coord_avgOrder
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: defgrad
|
||||
end subroutine deformed
|
||||
subroutine deformed_fft(res_x,res_y,res_z,geomdim,defgrad,defgrad_av,scaling,coords) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
real*8 intent(in) :: scaling
|
||||
real*8 dimension(3),intent(in) :: geomdim
|
||||
real*8 dimension(3,3),intent(in) :: defgrad_av
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: defgrad
|
||||
real*8 dimension(res_x,res_y,res_z,3),intent(out),depend(res_x,res_y,res_z) :: coords
|
||||
complex*16 dimension(res_x,res_y,res_z,3,3),depend(res_x,res_y,res_z) :: defgrad_fft
|
||||
complex*16 dimension(res_x/2+1,res_y,res_z,3),depend(res_x,res_y,res_z) :: coords_fft
|
||||
end subroutine deformed_fft
|
||||
subroutine volume_compare(res_x,res_y,res_z,geomdim,nodes,defgrad,volume_mismatch) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
real*8 dimension(3),intent(in) :: geomdim
|
||||
real*8 dimension(res_x+1,res_y+1,res_z+1,3),intent(in),depend(res_x,res_y,res_z) :: nodes
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: defgrad
|
||||
real*8 dimension(res_x,res_y,res_z),intent(out),depend(res_x,res_y,res_z) :: volume_mismatch
|
||||
end subroutine volume_compare
|
||||
subroutine shape_compare(res_x,res_y,res_z,geomdim,nodes,centroids,defgrad,shape_mismatch) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
real*8 dimension(3),intent(in) :: geomdim
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: defgrad
|
||||
real*8 dimension(res_x+1,res_y+1,res_z+1,3),intent(in),depend(res_x,res_y,res_z) :: nodes
|
||||
real*8 dimension(res_x,res_y,res_z,3),intent(in),depend(res_x,res_y,res_z) :: centroids
|
||||
real*8 dimension(res_x,res_y,res_z),intent(out),depend(res_x,res_y,res_z) :: shape_mismatch
|
||||
end subroutine shape_compare
|
||||
subroutine inverse_reconstruction(res_x,res_y,res_z,reference_configuration,current_configuration,defgrad) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
real*8 dimension(res_x+1,res_y+1,res_z+1,3),intent(in),depend(res_x,res_y,res_z) :: reference_configuration
|
||||
real*8 dimension(res_x+1,res_y+1,res_z+1,3),intent(in),depend(res_x,res_y,res_z) :: current_configuration
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(out),depend(res_x,res_y,res_z) :: defgrad
|
||||
end subroutine inverse_reconstruction
|
||||
subroutine tensor_avg(res_x,res_y,res_z,tensor,avg) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: tensor
|
||||
real*8 dimension(3,3),intent(out) :: avg
|
||||
end subroutine tensor_avg
|
||||
subroutine logstrain_mat(res_x,res_y,res_z,defgrad,logstrain_field) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: defgrad
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(out),depend(res_x,res_y,res_z) :: logstrain_field
|
||||
end subroutine logstrain_mat
|
||||
subroutine logstrain_spat(res_x,res_y,res_z,defgrad,logstrain_field) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: defgrad
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(out),depend(res_x,res_y,res_z) :: logstrain_field
|
||||
end subroutine logstrain_spat
|
||||
subroutine calculate_cauchy(res_x,res_y,res_z,defgrad,p_stress,c_stress) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: defgrad
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: p_stress
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(out),depend(res_x,res_y,res_z) :: c_stress
|
||||
end subroutine calculate_cauchy
|
||||
subroutine calculate_mises(res_x,res_y,res_z,tensor,vm) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
real*8 dimension(res_x,res_y,res_z,3,3),intent(in),depend(res_x,res_y,res_z) :: tensor
|
||||
real*8 dimension(res_x,res_y,res_z,1),intent(out),depend(res_x,res_y,res_z) :: vm
|
||||
end subroutine calculate_mises
|
||||
subroutine divergence_fft(res_x,res_y,res_z,vec_tens,geomdim,field,divergence_field) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
integer intent(in) :: vec_tens
|
||||
real*8 dimension(3),intent(in) :: geomdim
|
||||
real*8 dimension(res_x,res_y,res_z,3,vec_tens),intent(in),depend(res_x,res_y,res_z,vec_tens) :: field
|
||||
real*8 dimension(res_x,res_y,res_z,vec_tens), intent(out),depend(res_x,res_y,res_z,vec_tens) :: divergence_field
|
||||
complex*8 dimension(res_x,res_y,res_z,3,vec_tens),depend(res_x,res_y,res_z,vec_tens) :: field_fft
|
||||
complex*8 dimension(res_x/2+1,res_y,res_z,vec_tens),depend(res_x,res_y,res_z,vec_tens) :: divergence_field_fft
|
||||
end subroutine divergence_fft
|
||||
subroutine divergence(res_x,res_y,res_z,vec_tens,order,geomdim,field,divergence_field) ! in :postprocessingMath:postprocessingMath.f90
|
||||
integer intent(in) :: res_x
|
||||
integer intent(in) :: res_y
|
||||
integer intent(in) :: res_z
|
||||
integer intent(in) :: vec_tens
|
||||
integer intent(in) :: order
|
||||
real*8 dimension(3),intent(in) :: geomdim
|
||||
real*8 dimension(res_x,res_y,res_z,vec_tens,3),intent(in),depend(res_x,res_y,res_z,vec_tens,3) :: field
|
||||
real*8 dimension(res_x,res_y,res_z,vec_tens),intent(out),depend(res_x,res_y,res_z,vec_tens) :: divergence_field
|
||||
end subroutine divergence
|
||||
end interface
|
||||
end python module postprocessingMath
|
||||
|
||||
! This file was auto-generated with f2py (version:2_5972).
|
||||
! See http://cens.ioc.ee/projects/f2py2e/
|
||||
! modified by m.diehl
|
||||
Loading…
Reference in New Issue