removed (in IO.f90) a dangerous initialization statement.

Please read http://www.cs.rpi.edu/~szymansk/OOF90/bugs.html#4
for more details.

Other files are just a little bit polished
This commit is contained in:
Martin Diehl 2012-03-07 10:07:29 +00:00
parent d00c3c9e19
commit 2a7888c7e1
3 changed files with 361 additions and 362 deletions

View File

@ -546,7 +546,7 @@ integer(pInt) function IO_countSections(myFile,part)
integer(pInt), intent(in) :: myFile
character(len=*), intent(in) :: part
character(len=1024) :: line = ''
character(len=1024) :: line
IO_countSections = 0_pInt
rewind(myFile)
@ -583,12 +583,13 @@ function IO_countTagInPart(myFile,part,myTag,Nsections)
integer(pInt), dimension(Nsections) :: counter
integer(pInt), dimension(1+2*maxNchunks) :: positions
integer(pInt) :: section = 0_pInt
character(len=1024) :: line ='', &
integer(pInt) :: section
character(len=1024) :: line, &
tag
rewind(myFile)
counter = 0_pInt
section = 0_pInt
do while (IO_getTag(line,'<','>') /= part) ! search for part
read(myFile,'(a1024)',END=100) line
@ -635,7 +636,6 @@ function IO_spotTagInPart(myFile,part,myTag,Nsections)
IO_spotTagInPart = .false. ! assume to nowhere spot tag
section = 0_pInt
line = ''
rewind(myFile)
do while (IO_getTag(line,'<','>') /= part) ! search for part
@ -851,7 +851,6 @@ pure function IO_lc(line)
implicit none
character(len=*), intent(in) :: line
character(len=len(line)) :: IO_lc
integer :: i ! no pInt (len returns default integer)
@ -871,8 +870,8 @@ subroutine IO_lcInplace(line)
implicit none
character(len=*), intent(inout) :: line
character(len=len(line)) :: IO_lc
integer :: i ! no pInt (len returns default integer)
IO_lc = line
@ -892,6 +891,7 @@ subroutine IO_skipChunks(myUnit,N)
implicit none
integer(pInt), intent(in) :: myUnit, &
N
integer(pInt), parameter :: maxNchunks = 64_pInt
integer(pInt) :: remainingChunks
@ -915,7 +915,7 @@ character(len=300) pure function IO_extractValue(line,key)
implicit none
character(len=*), intent(in) :: line, &
key
character(len=*), parameter :: sep = achar(61) ! '='
integer :: myPos ! no pInt (scan returns default integer)
@ -1444,6 +1444,7 @@ recursive function abaqus_assembleInputFile(unit1,unit2) result(createSuccess)
unit2
integer(pInt), parameter :: maxNchunks = 6_pInt
integer(pInt), dimension(1+2*maxNchunks) :: positions
character(len=300) :: line,fname
logical :: createSuccess,fexist

View File

@ -585,18 +585,18 @@ module kdtree2_module
!
integer(pInt) :: dimen
integer(pInt) :: nn, nfound
real(pReal) :: ballsize
real(pReal) :: ballsize
integer(pInt) :: centeridx=999_pInt, correltime=9999_pInt
! exclude points within 'correltime' of 'centeridx', iff centeridx >= 0
integer(pInt) :: nalloc ! how much allocated for results(:)?
logical :: rearrange ! are the data rearranged or original?
logical :: rearrange ! are the data rearranged or original?
! did the # of points found overflow the storage provided?
logical :: overflow
real(pReal), pointer :: qv(:) ! query vector
logical :: overflow
real(pReal), pointer :: qv(:) ! query vector
type(kdtree2_result), pointer :: results(:) ! results
type(pq) :: pq
real(pReal), pointer :: myData(:,:) ! temp pointer to data
integer(pInt), pointer :: ind(:) ! temp pointer to indexes
real(pReal), pointer :: myData(:,:) ! temp pointer to data
integer(pInt), pointer :: ind(:) ! temp pointer to indexes
end type tree_search_record
type(tree_search_record), save, target :: sr ! A GLOBAL VARIABLE for search
@ -630,15 +630,15 @@ function kdtree2_create(input_data,myDim,sort,rearrange) result (mr)
use IO, only: IO_error
implicit none
type (kdtree2), pointer :: mr
integer(pInt), intent(in), optional :: myDim
logical, intent(in), optional :: sort
logical, intent(in), optional :: rearrange
type (kdtree2), pointer :: mr
integer(pInt), intent(in), optional :: myDim
logical, intent(in), optional :: sort
logical, intent(in), optional :: rearrange
! ..
! .. Array Arguments ..
real(pReal), target :: input_data(:,:)
real(pReal), target :: input_data(:,:)
!
integer(pInt) :: i
integer(pInt) :: i
! ..
allocate (mr)
mr%the_data => input_data
@ -1298,9 +1298,11 @@ function kdtree2_r_count_around_point(tp,idxin,correltime,r2) result(nfound)
! point 'idxin' with decorrelation time 'correltime'.
!
implicit none
type (kdtree2), pointer :: tp
type (kdtree2), pointer :: tp
integer(pInt), intent (In) :: correltime, idxin
real(pReal), intent(in) :: r2
real(pReal), intent(in) :: r2
integer(pInt) :: nfound
! ..
! ..
@ -1384,16 +1386,16 @@ recursive subroutine search(node)
! "box in bounds", whether the sear
!
implicit none
type (Tree_node), pointer :: node
type (Tree_node), pointer :: node
! ..
type(tree_node),pointer :: ncloser, nfarther
type(tree_node),pointer :: ncloser, nfarther
!
integer(pInt) :: cut_dim, i
integer(pInt) :: cut_dim, i
! ..
real(pReal) :: qval, dis
real(pReal) :: ballsize
real(pReal) :: qval, dis
real(pReal) :: ballsize
real(pReal), pointer :: qv(:)
type(interval), pointer :: box(:)
type(interval), pointer :: box(:)
if ((associated(node%left) .and. associated(node%right)) .eqv. .false.) then
! we are on a terminal node
@ -1481,12 +1483,12 @@ logical function box_in_search_range(node, sr) result(res)
! contribute nothing to the distance.
!
implicit none
type (tree_node), pointer :: node
type (tree_node), pointer :: node
type (tree_search_record), pointer :: sr
integer(pInt) :: dimen, i
real(pReal) :: dis, ballsize
real(pReal) :: l, u
real(pReal) :: dis, ballsize
real(pReal) :: l, u
dimen = sr%dimen
ballsize = sr%ballsize
@ -1512,16 +1514,16 @@ subroutine process_terminal_node(node)
! the search results on the sr data structure.
!
implicit none
type (tree_node), pointer :: node
type (tree_node), pointer :: node
!
real(pReal), pointer :: qv(:)
integer(pInt), pointer :: ind(:)
real(pReal), pointer :: myData(:,:)
real(pReal), pointer :: qv(:)
integer(pInt), pointer :: ind(:)
real(pReal), pointer :: myData(:,:)
!
integer(pInt) :: dimen, i, indexofi, k, centeridx, correltime
real(pReal) :: ballsize, sd, newpri
logical :: rearrange
type(pq), pointer :: pqp
integer(pInt) :: dimen, i, indexofi, k, centeridx, correltime
real(pReal) :: ballsize, sd, newpri
logical :: rearrange
type(pq), pointer :: pqp
!
! copy values from sr to local variables
!
@ -1619,17 +1621,17 @@ subroutine process_terminal_node_fixedball(node)
! save all within a fixed ball.
!
implicit none
type (tree_node), pointer :: node
type (tree_node), pointer :: node
!
real(pReal), pointer :: qv(:)
integer(pInt), pointer :: ind(:)
real(pReal), pointer :: myData(:,:)
real(pReal), pointer :: qv(:)
integer(pInt), pointer :: ind(:)
real(pReal), pointer :: myData(:,:)
!
integer(pInt) :: nfound
integer(pInt) :: dimen, i, indexofi, k
integer(pInt) :: centeridx, correltime, nn
real(pReal) :: ballsize, sd
logical :: rearrange
integer(pInt) :: nfound
integer(pInt) :: dimen, i, indexofi, k
integer(pInt) :: centeridx, correltime, nn
real(pReal) :: ballsize, sd
logical :: rearrange
!
! copy values from sr to local variables
@ -1710,13 +1712,13 @@ subroutine kdtree2_n_nearest_brute_force(tp,qv,nn,results)
! whole point of a k-d tree is to avoid doing what this subroutine
! does.
implicit none
type (kdtree2), pointer :: tp
real(pReal), intent (In) :: qv(:)
integer(pInt), intent (In) :: nn
type(kdtree2_result) :: results(:)
type (kdtree2), pointer :: tp
real(pReal), intent(in) :: qv(:)
integer(pInt), intent(in) :: nn
type(kdtree2_result) :: results(:)
integer(pInt) :: i, j, k
real(pReal), allocatable :: all_distances(:)
integer(pInt) :: i, j, k
real(pReal), allocatable :: all_distances(:)
! ..
allocate (all_distances(tp%n))
do i = 1_pInt, tp%n
@ -1751,11 +1753,11 @@ subroutine kdtree2_r_nearest_brute_force(tp,qv,r2,nfound,results)
! whole point of a k-d tree is to avoid doing what this subroutine
! does.
implicit none
type (kdtree2), pointer :: tp
real(pReal), intent (In) :: qv(:)
real(pReal), intent (In) :: r2
integer(pInt), intent(out) :: nfound
type(kdtree2_result) :: results(:)
type (kdtree2), pointer :: tp
real(pReal), intent(in) :: qv(:)
real(pReal), intent(in) :: r2
integer(pInt), intent(out) :: nfound
type(kdtree2_result) :: results(:)
integer(pInt) :: i
integer :: nalloc
@ -1810,9 +1812,9 @@ subroutine heapsort(a,ind,n)
! If ind(k) = k upon input, then it will give a sort index upon output.
!
implicit none
integer(pInt),intent(in) :: n
real(pReal), intent(inout) :: a(:)
integer(pInt), intent(inout) :: ind(:)
integer(pInt),intent(in) :: n
real(pReal), intent(inout) :: a(:)
integer(pInt), intent(inout) :: ind(:)
!
!
@ -1869,7 +1871,7 @@ subroutine heapsort_struct(a,n)
!
!
implicit none
integer(pInt),intent(in) :: n
integer(pInt),intent(in) :: n
type(kdtree2_result),intent(inout) :: a(:)
!

View File

@ -19,14 +19,15 @@
!##############################################################
!* $Id$
!##############################################################
MODULE numerics
module numerics
!##############################################################
use prec, only: pInt, pReal
use IO, only: IO_warning
implicit none
character(len=64), parameter :: numerics_configFile = 'numerics.config' ! name of configuration file
implicit none
character(len=64), parameter, private ::&
numerics_configFile = 'numerics.config' ! name of configuration file
integer(pInt) :: iJacoStiffness = 1_pInt, & ! frequency of stiffness update
iJacoLpresiduum = 1_pInt, & ! frequency of Jacobian update of residuum in Lp
nHomog = 20_pInt, & ! homogenization loop limit (only for debugging info, loop limit is determined by "subStepMinHomog")
@ -94,39 +95,33 @@ CONTAINS
!*******************************************
! initialization subroutine
!*******************************************
subroutine numerics_init()
subroutine numerics_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
!*** variables and functions from other modules ***!
use prec, only: pInt, &
pReal
use IO, only: IO_error, &
IO_open_file_stat, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_lc, &
IO_floatValue, &
IO_intValue
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use IO, only: IO_error, &
IO_open_file_stat, &
IO_isBlank, &
IO_stringPos, &
IO_stringValue, &
IO_lc, &
IO_floatValue, &
IO_intValue, &
IO_warning
!$ use OMP_LIB ! the openMP function library
implicit none
!*** local variables ***!
integer(pInt), parameter :: fileunit = 300_pInt
integer(pInt), parameter :: maxNchunks = 2_pInt
!$ integer :: gotDAMASK_NUM_THREADS = 1
integer(pInt), dimension(1+2*maxNchunks) :: positions
character(len=64) :: tag
character(len=1024) :: line
! OpenMP variable
implicit none
integer(pInt), parameter :: fileunit = 300_pInt ,&
maxNchunks = 2_pInt
!$ integer :: gotDAMASK_NUM_THREADS = 1
integer(pInt), dimension(1+2*maxNchunks) :: positions
character(len=64) :: tag
character(len=1024) :: line
!$ character(len=6) DAMASK_NumThreadsString !environment variable DAMASK_NUM_THREADS
!$OMP CRITICAL (write2out)
write(6,*)
write(6,*) '<<<+- numerics init -+>>>'
write(6,*) '$Id$'
write(6,*)
write(6,*) '<<<+- numerics init -+>>>'
write(6,*) '$Id$'
#include "compilation_info.f90"
!$OMP END CRITICAL (write2out)
@ -137,294 +132,295 @@ subroutine numerics_init()
!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! ...and use it as number of threads for parallel execution
! try to open the config file
if(IO_open_file_stat(fileunit,numerics_configFile)) then
if(IO_open_file_stat(fileunit,numerics_configFile)) then
!$OMP CRITICAL (write2out)
write(6,*) ' ... using values from config file'
write(6,*)
!$OMP END CRITICAL (write2out)
!$OMP CRITICAL (write2out)
write(6,*) ' ... using values from config file'
write(6,*)
!$OMP END CRITICAL (write2out)
!* read variables from config file and overwrite parameters
line = ''
do
read(fileunit,'(a1024)',END=100) line
if (IO_isBlank(line)) cycle ! skip empty lines
positions = IO_stringPos(line,maxNchunks)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag)
case ('relevantstrain')
relevantStrain = IO_floatValue(line,positions,2_pInt)
case ('defgradtolerance')
defgradTolerance = IO_floatValue(line,positions,2_pInt)
case ('ijacostiffness')
iJacoStiffness = IO_intValue(line,positions,2_pInt)
case ('ijacolpresiduum')
iJacoLpresiduum = IO_intValue(line,positions,2_pInt)
case ('pert_fg')
pert_Fg = IO_floatValue(line,positions,2_pInt)
case ('pert_method')
pert_method = IO_intValue(line,positions,2_pInt)
case ('nhomog')
nHomog = IO_intValue(line,positions,2_pInt)
case ('nmpstate')
nMPstate = IO_intValue(line,positions,2_pInt)
case ('ncryst')
nCryst = IO_intValue(line,positions,2_pInt)
case ('nstate')
nState = IO_intValue(line,positions,2_pInt)
case ('nstress')
nStress = IO_intValue(line,positions,2_pInt)
case ('substepmincryst')
subStepMinCryst = IO_floatValue(line,positions,2_pInt)
case ('substepsizecryst')
subStepSizeCryst = IO_floatValue(line,positions,2_pInt)
case ('stepincreasecryst')
stepIncreaseCryst = IO_floatValue(line,positions,2_pInt)
case ('substepminhomog')
subStepMinHomog = IO_floatValue(line,positions,2_pInt)
case ('substepsizehomog')
subStepSizeHomog = IO_floatValue(line,positions,2_pInt)
case ('stepincreasehomog')
stepIncreaseHomog = IO_floatValue(line,positions,2_pInt)
case ('rtol_crystallitestate')
rTol_crystalliteState = IO_floatValue(line,positions,2_pInt)
case ('rtol_crystallitetemperature')
rTol_crystalliteTemperature = IO_floatValue(line,positions,2_pInt)
case ('rtol_crystallitestress')
rTol_crystalliteStress = IO_floatValue(line,positions,2_pInt)
case ('atol_crystallitestress')
aTol_crystalliteStress = IO_floatValue(line,positions,2_pInt)
case ('integrator')
numerics_integrator(1) = IO_intValue(line,positions,2_pInt)
case ('integratorstiffness')
numerics_integrator(2) = IO_intValue(line,positions,2_pInt)
case ('lp_frac')
Lp_frac = IO_floatValue(line,positions,2_pInt)
case ('analyticjaco')
analyticJaco = IO_intValue(line,positions,2_pInt) > 0_pInt
case ('time_sensitive')
time_sensitive = IO_intValue(line,positions,2_pInt) > 0_pInt
!* read variables from config file and overwrite parameters
line = ''
do
read(fileunit,'(a1024)',END=100) line
if (IO_isBlank(line)) cycle ! skip empty lines
positions = IO_stringPos(line,maxNchunks)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag)
case ('relevantstrain')
relevantStrain = IO_floatValue(line,positions,2_pInt)
case ('defgradtolerance')
defgradTolerance = IO_floatValue(line,positions,2_pInt)
case ('ijacostiffness')
iJacoStiffness = IO_intValue(line,positions,2_pInt)
case ('ijacolpresiduum')
iJacoLpresiduum = IO_intValue(line,positions,2_pInt)
case ('pert_fg')
pert_Fg = IO_floatValue(line,positions,2_pInt)
case ('pert_method')
pert_method = IO_intValue(line,positions,2_pInt)
case ('nhomog')
nHomog = IO_intValue(line,positions,2_pInt)
case ('nmpstate')
nMPstate = IO_intValue(line,positions,2_pInt)
case ('ncryst')
nCryst = IO_intValue(line,positions,2_pInt)
case ('nstate')
nState = IO_intValue(line,positions,2_pInt)
case ('nstress')
nStress = IO_intValue(line,positions,2_pInt)
case ('substepmincryst')
subStepMinCryst = IO_floatValue(line,positions,2_pInt)
case ('substepsizecryst')
subStepSizeCryst = IO_floatValue(line,positions,2_pInt)
case ('stepincreasecryst')
stepIncreaseCryst = IO_floatValue(line,positions,2_pInt)
case ('substepminhomog')
subStepMinHomog = IO_floatValue(line,positions,2_pInt)
case ('substepsizehomog')
subStepSizeHomog = IO_floatValue(line,positions,2_pInt)
case ('stepincreasehomog')
stepIncreaseHomog = IO_floatValue(line,positions,2_pInt)
case ('rtol_crystallitestate')
rTol_crystalliteState = IO_floatValue(line,positions,2_pInt)
case ('rtol_crystallitetemperature')
rTol_crystalliteTemperature = IO_floatValue(line,positions,2_pInt)
case ('rtol_crystallitestress')
rTol_crystalliteStress = IO_floatValue(line,positions,2_pInt)
case ('atol_crystallitestress')
aTol_crystalliteStress = IO_floatValue(line,positions,2_pInt)
case ('integrator')
numerics_integrator(1) = IO_intValue(line,positions,2_pInt)
case ('integratorstiffness')
numerics_integrator(2) = IO_intValue(line,positions,2_pInt)
case ('lp_frac')
Lp_frac = IO_floatValue(line,positions,2_pInt)
case ('analyticjaco')
analyticJaco = IO_intValue(line,positions,2_pInt) > 0_pInt
case ('time_sensitive')
time_sensitive = IO_intValue(line,positions,2_pInt) > 0_pInt
!* RGC parameters:
case ('atol_rgc')
absTol_RGC = IO_floatValue(line,positions,2_pInt)
case ('rtol_rgc')
relTol_RGC = IO_floatValue(line,positions,2_pInt)
case ('amax_rgc')
absMax_RGC = IO_floatValue(line,positions,2_pInt)
case ('rmax_rgc')
relMax_RGC = IO_floatValue(line,positions,2_pInt)
case ('perturbpenalty_rgc')
pPert_RGC = IO_floatValue(line,positions,2_pInt)
case ('relevantmismatch_rgc')
xSmoo_RGC = IO_floatValue(line,positions,2_pInt)
case ('viscositypower_rgc')
viscPower_RGC = IO_floatValue(line,positions,2_pInt)
case ('viscositymodulus_rgc')
viscModus_RGC = IO_floatValue(line,positions,2_pInt)
case ('refrelaxationrate_rgc')
refRelaxRate_RGC = IO_floatValue(line,positions,2_pInt)
case ('maxrelaxation_rgc')
maxdRelax_RGC = IO_floatValue(line,positions,2_pInt)
case ('maxvoldiscrepancy_rgc')
maxVolDiscr_RGC = IO_floatValue(line,positions,2_pInt)
case ('voldiscrepancymod_rgc')
volDiscrMod_RGC = IO_floatValue(line,positions,2_pInt)
case ('discrepancypower_rgc')
volDiscrPow_RGC = IO_floatValue(line,positions,2_pInt)
!* RGC parameters:
case ('atol_rgc')
absTol_RGC = IO_floatValue(line,positions,2_pInt)
case ('rtol_rgc')
relTol_RGC = IO_floatValue(line,positions,2_pInt)
case ('amax_rgc')
absMax_RGC = IO_floatValue(line,positions,2_pInt)
case ('rmax_rgc')
relMax_RGC = IO_floatValue(line,positions,2_pInt)
case ('perturbpenalty_rgc')
pPert_RGC = IO_floatValue(line,positions,2_pInt)
case ('relevantmismatch_rgc')
xSmoo_RGC = IO_floatValue(line,positions,2_pInt)
case ('viscositypower_rgc')
viscPower_RGC = IO_floatValue(line,positions,2_pInt)
case ('viscositymodulus_rgc')
viscModus_RGC = IO_floatValue(line,positions,2_pInt)
case ('refrelaxationrate_rgc')
refRelaxRate_RGC = IO_floatValue(line,positions,2_pInt)
case ('maxrelaxation_rgc')
maxdRelax_RGC = IO_floatValue(line,positions,2_pInt)
case ('maxvoldiscrepancy_rgc')
maxVolDiscr_RGC = IO_floatValue(line,positions,2_pInt)
case ('voldiscrepancymod_rgc')
volDiscrMod_RGC = IO_floatValue(line,positions,2_pInt)
case ('discrepancypower_rgc')
volDiscrPow_RGC = IO_floatValue(line,positions,2_pInt)
!* spectral parameters
case ('err_div_tol')
err_div_tol = IO_floatValue(line,positions,2_pInt)
case ('err_stress_tolrel')
err_stress_tolrel = IO_floatValue(line,positions,2_pInt)
case ('itmax')
itmax = IO_intValue(line,positions,2_pInt)
case ('itmin')
itmin = IO_intValue(line,positions,2_pInt)
case ('memory_efficient')
memory_efficient = IO_intValue(line,positions,2_pInt) > 0_pInt
case ('fftw_timelimit')
fftw_timelimit = IO_floatValue(line,positions,2_pInt)
case ('fftw_plan_mode')
fftw_plan_mode = IO_stringValue(line,positions,2_pInt)
case ('rotation_tol')
rotation_tol = IO_floatValue(line,positions,2_pInt)
case ('divergence_correction')
divergence_correction = IO_intValue(line,positions,2_pInt) > 0_pInt
case ('update_gamma')
update_gamma = IO_intValue(line,positions,2_pInt) > 0_pInt
!* spectral parameters
case ('err_div_tol')
err_div_tol = IO_floatValue(line,positions,2_pInt)
case ('err_stress_tolrel')
err_stress_tolrel = IO_floatValue(line,positions,2_pInt)
case ('itmax')
itmax = IO_intValue(line,positions,2_pInt)
case ('itmin')
itmin = IO_intValue(line,positions,2_pInt)
case ('memory_efficient')
memory_efficient = IO_intValue(line,positions,2_pInt) > 0_pInt
case ('fftw_timelimit')
fftw_timelimit = IO_floatValue(line,positions,2_pInt)
case ('fftw_plan_mode')
fftw_plan_mode = IO_stringValue(line,positions,2_pInt)
case ('rotation_tol')
rotation_tol = IO_floatValue(line,positions,2_pInt)
case ('divergence_correction')
divergence_correction = IO_intValue(line,positions,2_pInt) > 0_pInt
case ('update_gamma')
update_gamma = IO_intValue(line,positions,2_pInt) > 0_pInt
!* Random seeding parameters
!* Random seeding parameters
case ('fixed_seed')
fixedSeed = IO_intValue(line,positions,2_pInt)
case default
call IO_error(300_pInt,ext_msg=tag)
endselect
enddo
100 close(fileunit)
case ('fixed_seed')
fixedSeed = IO_intValue(line,positions,2_pInt)
case default
call IO_error(300_pInt,ext_msg=tag)
endselect
enddo
100 close(fileunit)
! no config file, so we use standard values
else
!$OMP CRITICAL (write2out)
write(6,*) ' ... using standard values'
write(6,*)
!$OMP END CRITICAL (write2out)
endif
else
!$OMP CRITICAL (write2out)
write(6,*) ' ... using standard values'
write(6,*)
!$OMP END CRITICAL (write2out)
endif
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
fftw_planner_flag = 64_pInt
case('measure','fftw_measure')
fftw_planner_flag = 0_pInt
case('patient','fftw_patient')
fftw_planner_flag= 32_pInt
case('exhaustive','fftw_exhaustive')
fftw_planner_flag = 8_pInt
case default
call IO_warning(warning_ID=47_pInt,ext_msg=trim(IO_lc(fftw_plan_mode)))
fftw_planner_flag = 32_pInt
end select
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
fftw_planner_flag = 64_pInt
case('measure','fftw_measure')
fftw_planner_flag = 0_pInt
case('patient','fftw_patient')
fftw_planner_flag= 32_pInt
case('exhaustive','fftw_exhaustive')
fftw_planner_flag = 8_pInt
case default
call IO_warning(warning_ID=47_pInt,ext_msg=trim(IO_lc(fftw_plan_mode)))
fftw_planner_flag = 32_pInt
end select
!* writing parameters to output file
!$OMP CRITICAL (write2out)
write(6,'(a24,1x,e8.1)') ' relevantStrain: ',relevantStrain
write(6,'(a24,1x,e8.1)') ' defgradTolerance: ',defgradTolerance
write(6,'(a24,1x,i8)') ' iJacoStiffness: ',iJacoStiffness
write(6,'(a24,1x,i8)') ' iJacoLpresiduum: ',iJacoLpresiduum
write(6,'(a24,1x,e8.1)') ' pert_Fg: ',pert_Fg
write(6,'(a24,1x,i8)') ' pert_method: ',pert_method
write(6,'(a24,1x,i8)') ' nCryst: ',nCryst
write(6,'(a24,1x,e8.1)') ' subStepMinCryst: ',subStepMinCryst
write(6,'(a24,1x,e8.1)') ' subStepSizeCryst: ',subStepSizeCryst
write(6,'(a24,1x,e8.1)') ' stepIncreaseCryst: ',stepIncreaseCryst
write(6,'(a24,1x,i8)') ' nState: ',nState
write(6,'(a24,1x,i8)') ' nStress: ',nStress
write(6,'(a24,1x,e8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState
write(6,'(a24,1x,e8.1)') ' rTol_crystalliteTemp: ',rTol_crystalliteTemperature
write(6,'(a24,1x,e8.1)') ' rTol_crystalliteStress: ',rTol_crystalliteStress
write(6,'(a24,1x,e8.1)') ' aTol_crystalliteStress: ',aTol_crystalliteStress
write(6,'(a24,2(1x,i8),/)')' integrator: ',numerics_integrator
write(6,'(a24,1x,e8.1)') ' Lp_frac: ',Lp_frac
write(6,'(a24,1x,L8)') ' analytic Jacobian: ',analyticJaco
write(6,'(a24,1x,L8)') ' time sensitive: ',time_sensitive
write(6,'(a24,1x,i8)') ' nHomog: ',nHomog
write(6,'(a24,1x,e8.1)') ' subStepMinHomog: ',subStepMinHomog
write(6,'(a24,1x,e8.1)') ' subStepSizeHomog: ',subStepSizeHomog
write(6,'(a24,1x,e8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog
write(6,'(a24,1x,i8,/)') ' nMPstate: ',nMPstate
!* writing parameters to output file
!$OMP CRITICAL (write2out)
write(6,'(a24,1x,e8.1)') ' relevantStrain: ',relevantStrain
write(6,'(a24,1x,e8.1)') ' defgradTolerance: ',defgradTolerance
write(6,'(a24,1x,i8)') ' iJacoStiffness: ',iJacoStiffness
write(6,'(a24,1x,i8)') ' iJacoLpresiduum: ',iJacoLpresiduum
write(6,'(a24,1x,e8.1)') ' pert_Fg: ',pert_Fg
write(6,'(a24,1x,i8)') ' pert_method: ',pert_method
write(6,'(a24,1x,i8)') ' nCryst: ',nCryst
write(6,'(a24,1x,e8.1)') ' subStepMinCryst: ',subStepMinCryst
write(6,'(a24,1x,e8.1)') ' subStepSizeCryst: ',subStepSizeCryst
write(6,'(a24,1x,e8.1)') ' stepIncreaseCryst: ',stepIncreaseCryst
write(6,'(a24,1x,i8)') ' nState: ',nState
write(6,'(a24,1x,i8)') ' nStress: ',nStress
write(6,'(a24,1x,e8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState
write(6,'(a24,1x,e8.1)') ' rTol_crystalliteTemp: ',rTol_crystalliteTemperature
write(6,'(a24,1x,e8.1)') ' rTol_crystalliteStress: ',rTol_crystalliteStress
write(6,'(a24,1x,e8.1)') ' aTol_crystalliteStress: ',aTol_crystalliteStress
write(6,'(a24,2(1x,i8),/)')' integrator: ',numerics_integrator
write(6,'(a24,1x,e8.1)') ' Lp_frac: ',Lp_frac
write(6,'(a24,1x,L8)') ' analytic Jacobian: ',analyticJaco
write(6,'(a24,1x,L8)') ' time sensitive: ',time_sensitive
write(6,'(a24,1x,i8)') ' nHomog: ',nHomog
write(6,'(a24,1x,e8.1)') ' subStepMinHomog: ',subStepMinHomog
write(6,'(a24,1x,e8.1)') ' subStepSizeHomog: ',subStepSizeHomog
write(6,'(a24,1x,e8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog
write(6,'(a24,1x,i8,/)') ' nMPstate: ',nMPstate
!* RGC parameters
!* RGC parameters
write(6,'(a24,1x,e8.1)') ' aTol_RGC: ',absTol_RGC
write(6,'(a24,1x,e8.1)') ' rTol_RGC: ',relTol_RGC
write(6,'(a24,1x,e8.1)') ' aMax_RGC: ',absMax_RGC
write(6,'(a24,1x,e8.1)') ' rMax_RGC: ',relMax_RGC
write(6,'(a24,1x,e8.1)') ' perturbPenalty_RGC: ',pPert_RGC
write(6,'(a24,1x,e8.1)') ' relevantMismatch_RGC: ',xSmoo_RGC
write(6,'(a24,1x,e8.1)') ' viscosityrate_RGC: ',viscPower_RGC
write(6,'(a24,1x,e8.1)') ' viscositymodulus_RGC: ',viscModus_RGC
write(6,'(a24,1x,e8.1)') ' maxrelaxation_RGC: ',maxdRelax_RGC
write(6,'(a24,1x,e8.1)') ' maxVolDiscrepancy_RGC: ',maxVolDiscr_RGC
write(6,'(a24,1x,e8.1)') ' volDiscrepancyMod_RGC: ',volDiscrMod_RGC
write(6,'(a24,1x,e8.1,/)') ' discrepancyPower_RGC: ',volDiscrPow_RGC
write(6,'(a24,1x,e8.1)') ' aTol_RGC: ',absTol_RGC
write(6,'(a24,1x,e8.1)') ' rTol_RGC: ',relTol_RGC
write(6,'(a24,1x,e8.1)') ' aMax_RGC: ',absMax_RGC
write(6,'(a24,1x,e8.1)') ' rMax_RGC: ',relMax_RGC
write(6,'(a24,1x,e8.1)') ' perturbPenalty_RGC: ',pPert_RGC
write(6,'(a24,1x,e8.1)') ' relevantMismatch_RGC: ',xSmoo_RGC
write(6,'(a24,1x,e8.1)') ' viscosityrate_RGC: ',viscPower_RGC
write(6,'(a24,1x,e8.1)') ' viscositymodulus_RGC: ',viscModus_RGC
write(6,'(a24,1x,e8.1)') ' maxrelaxation_RGC: ',maxdRelax_RGC
write(6,'(a24,1x,e8.1)') ' maxVolDiscrepancy_RGC: ',maxVolDiscr_RGC
write(6,'(a24,1x,e8.1)') ' volDiscrepancyMod_RGC: ',volDiscrMod_RGC
write(6,'(a24,1x,e8.1,/)') ' discrepancyPower_RGC: ',volDiscrPow_RGC
!* spectral parameters
!* spectral parameters
write(6,'(a24,1x,e8.1)') ' err_div_tol: ',err_div_tol
write(6,'(a24,1x,e8.1)') ' err_stress_tolrel: ',err_stress_tolrel
write(6,'(a24,1x,i8)') ' itmax: ',itmax
write(6,'(a24,1x,i8)') ' itmin: ',itmin
write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient
if(fftw_timelimit<0.0_pReal) then
write(6,'(a24,1x,L8)') ' fftw_timelimit: ',.false.
else
write(6,'(a24,1x,e8.1)') ' 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,e8.1)') ' rotation_tol: ',rotation_tol
write(6,'(a24,1x,L8,/)') ' divergence_correction: ',divergence_correction
write(6,'(a24,1x,L8,/)') ' update_gamma: ',update_gamma
!* Random seeding parameters
write(6,'(a24,1x,i16,/)') ' fixed_seed: ',fixedSeed
!$OMP END CRITICAL (write2out)
write(6,'(a24,1x,e8.1)') ' err_div_tol: ',err_div_tol
write(6,'(a24,1x,e8.1)') ' err_stress_tolrel: ',err_stress_tolrel
write(6,'(a24,1x,i8)') ' itmax: ',itmax
write(6,'(a24,1x,i8)') ' itmin: ',itmin
write(6,'(a24,1x,L8)') ' memory_efficient: ',memory_efficient
if(fftw_timelimit<0.0_pReal) then
write(6,'(a24,1x,L8)') ' fftw_timelimit: ',.false.
else
write(6,'(a24,1x,e8.1)') ' fftw_timelimit: ',fftw_timelimit
endif
write(6,'(a24,1x,a)') ' fftw_plan_mode: ',trim(fftw_plan_mode)
write(6,'(a24,1x,i8)') ' fftw_planner_flag: ',fftw_planner_flag
write(6,'(a24,1x,e8.1)') ' rotation_tol: ',rotation_tol
write(6,'(a24,1x,L8,/)') ' divergence_correction: ',divergence_correction
write(6,'(a24,1x,L8,/)') ' update_gamma: ',update_gamma
!* Random seeding parameters
write(6,'(a24,1x,i16,/)') ' fixed_seed: ',fixedSeed
!$OMP END CRITICAL (write2out)
!* openMP parameter
!* openMP parameter
!$ write(6,'(a24,1x,i8,/)') ' number of threads: ',DAMASK_NumThreadsInt
!* sanity check
!* sanity check
if (relevantStrain <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relevantStrain')
if (defgradTolerance <= 0.0_pReal) call IO_error(301_pInt,ext_msg='defgradTolerance')
if (iJacoStiffness < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoStiffness')
if (iJacoLpresiduum < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoLpresiduum')
if (pert_Fg <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pert_Fg')
if (pert_method <= 0_pInt .or. pert_method >= 4_pInt) &
call IO_error(301_pInt,ext_msg='pert_method')
if (nHomog < 1_pInt) call IO_error(301_pInt,ext_msg='nHomog')
if (nMPstate < 1_pInt) call IO_error(301_pInt,ext_msg='nMPstate')
if (nCryst < 1_pInt) call IO_error(301_pInt,ext_msg='nCryst')
if (nState < 1_pInt) call IO_error(301_pInt,ext_msg='nState')
if (nStress < 1_pInt) call IO_error(301_pInt,ext_msg='nStress')
if (subStepMinCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinCryst')
if (subStepSizeCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeCryst')
if (stepIncreaseCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseCryst')
if (subStepMinHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinHomog')
if (subStepSizeHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeHomog')
if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseHomog')
if (rTol_crystalliteState <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteState')
if (rTol_crystalliteTemperature <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteTemperature')
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteStress')
if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='aTol_crystalliteStress')
if (any(numerics_integrator <= 0_pInt) .or. any(numerics_integrator >= 6_pInt)) &
call IO_error(301_pInt,ext_msg='integrator')
if (relevantStrain <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relevantStrain')
if (defgradTolerance <= 0.0_pReal) call IO_error(301_pInt,ext_msg='defgradTolerance')
if (iJacoStiffness < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoStiffness')
if (iJacoLpresiduum < 1_pInt) call IO_error(301_pInt,ext_msg='iJacoLpresiduum')
if (pert_Fg <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pert_Fg')
if (pert_method <= 0_pInt .or. pert_method >= 4_pInt) &
call IO_error(301_pInt,ext_msg='pert_method')
if (nHomog < 1_pInt) call IO_error(301_pInt,ext_msg='nHomog')
if (nMPstate < 1_pInt) call IO_error(301_pInt,ext_msg='nMPstate')
if (nCryst < 1_pInt) call IO_error(301_pInt,ext_msg='nCryst')
if (nState < 1_pInt) call IO_error(301_pInt,ext_msg='nState')
if (nStress < 1_pInt) call IO_error(301_pInt,ext_msg='nStress')
if (subStepMinCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinCryst')
if (subStepSizeCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeCryst')
if (stepIncreaseCryst <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseCryst')
if (subStepMinHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepMinHomog')
if (subStepSizeHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='subStepSizeHomog')
if (stepIncreaseHomog <= 0.0_pReal) call IO_error(301_pInt,ext_msg='stepIncreaseHomog')
if (rTol_crystalliteState <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteState')
if (rTol_crystalliteTemperature <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteTemperature')
if (rTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='rTol_crystalliteStress')
if (aTol_crystalliteStress <= 0.0_pReal) call IO_error(301_pInt,ext_msg='aTol_crystalliteStress')
if (any(numerics_integrator <= 0_pInt) .or. any(numerics_integrator >= 6_pInt)) &
call IO_error(301_pInt,ext_msg='integrator')
!* RGC parameters
!* RGC parameters
if (absTol_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='absTol_RGC')
if (relTol_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relTol_RGC')
if (absMax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='absMax_RGC')
if (relMax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relMax_RGC')
if (pPert_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pPert_RGC')
if (xSmoo_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='xSmoo_RGC')
if (viscPower_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='viscPower_RGC')
if (viscModus_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='viscModus_RGC')
if (refRelaxRate_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='refRelaxRate_RGC')
if (maxdRelax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='maxdRelax_RGC')
if (maxVolDiscr_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='maxVolDiscr_RGC')
if (volDiscrMod_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='volDiscrMod_RGC')
if (volDiscrPow_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='volDiscrPw_RGC')
if (absTol_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='absTol_RGC')
if (relTol_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relTol_RGC')
if (absMax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='absMax_RGC')
if (relMax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='relMax_RGC')
if (pPert_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='pPert_RGC')
if (xSmoo_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='xSmoo_RGC')
if (viscPower_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='viscPower_RGC')
if (viscModus_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='viscModus_RGC')
if (refRelaxRate_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='refRelaxRate_RGC')
if (maxdRelax_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='maxdRelax_RGC')
if (maxVolDiscr_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='maxVolDiscr_RGC')
if (volDiscrMod_RGC < 0.0_pReal) call IO_error(301_pInt,ext_msg='volDiscrMod_RGC')
if (volDiscrPow_RGC <= 0.0_pReal) call IO_error(301_pInt,ext_msg='volDiscrPw_RGC')
!* spectral parameters
if (err_div_tol <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tol')
if (err_stress_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolrel')
if (itmax <= 1.0_pInt) call IO_error(301_pInt,ext_msg='itmax')
if (itmin > itmax) call IO_error(301_pInt,ext_msg='itmin')
if (fixedSeed <= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a)') ' Random is random!'
!$OMP END CRITICAL (write2out)
endif
endsubroutine
!* spectral parameters
if (err_div_tol <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tol')
if (err_stress_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolrel')
if (itmax <= 1.0_pInt) call IO_error(301_pInt,ext_msg='itmax')
if (itmin > itmax) call IO_error(301_pInt,ext_msg='itmin')
if (fixedSeed <= 0_pInt) then
!$OMP CRITICAL (write2out)
write(6,'(a)') ' Random is random!'
!$OMP END CRITICAL (write2out)
endif
END MODULE numerics
end subroutine numerics_init
end module numerics