1529 lines
61 KiB
Groff
1529 lines
61 KiB
Groff
From 2355d41203f829e5a24154184ab1a1a05e40b5e2 Mon Sep 17 00:00:00 2001
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From: Martin Diehl <m.diehl@mpie.de>
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Date: Sun, 5 Nov 2017 12:48:31 +0100
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Subject: [PATCH 1/3] adjusted calling of PETSc routines. Compiles but crashes
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conditional prints for worldrank not needed (redirected to /dev/null) failing
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during compilation is faster than during runtime
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---
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src/DAMASK_spectral.f90 | 27 ++++++------------
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src/constitutive.f90 | 6 ++--
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src/damage_local.f90 | 8 ++----
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src/damage_none.f90 | 8 ++----
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src/damage_nonlocal.f90 | 8 ++----
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src/homogenization_RGC.f90 | 8 ++----
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src/homogenization_isostrain.f90 | 8 ++----
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src/homogenization_none.f90 | 10 ++-----
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src/hydrogenflux_cahnhilliard.f90 | 8 ++----
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src/hydrogenflux_isoconc.f90 | 10 ++-----
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src/kinematics_cleavage_opening.f90 | 8 ++----
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src/kinematics_slipplane_opening.f90 | 8 ++----
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src/kinematics_thermal_expansion.f90 | 8 ++----
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src/kinematics_vacancy_strain.f90 | 8 ++----
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src/mesh.f90 | 10 +++----
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src/numerics.f90 | 13 ++++-----
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src/spectral_damage.f90 | 37 +++++++-----------------
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src/spectral_interface.f90 | 31 ++++++++++----------
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src/spectral_mech_AL.f90 | 43 +++++++++-------------------
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src/spectral_mech_Basic.f90 | 48 +++++++++++--------------------
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src/spectral_mech_Polarisation.f90 | 49 +++++++++++---------------------
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src/spectral_thermal.f90 | 55 ++++++++++++++++--------------------
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src/spectral_utilities.f90 | 34 ++++++++--------------
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23 files changed, 156 insertions(+), 297 deletions(-)
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diff --git a/src/DAMASK_spectral.f90 b/src/DAMASK_spectral.f90
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index dc529b2e..ee6b20fc 100644
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--- a/src/DAMASK_spectral.f90
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+++ b/src/DAMASK_spectral.f90
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@@ -12,6 +12,8 @@ program DAMASK_spectral
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compiler_version, &
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compiler_options
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#endif
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+#include <petsc/finclude/petscsys.h>
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+ use PETSC
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use prec, only: &
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pInt, &
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pLongInt, &
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@@ -85,11 +87,8 @@ program DAMASK_spectral
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use spectral_damage
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use spectral_thermal
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-
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implicit none
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-#include <petsc/finclude/petscsys.h>
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-
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!--------------------------------------------------------------------------------------------------
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! variables related to information from load case and geom file
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real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
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@@ -144,18 +143,11 @@ program DAMASK_spectral
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integer(pInt), parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
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integer(pInt), parameter :: maxRealOut = maxByteOut/pReal
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integer(pLongInt), dimension(2) :: outputIndex
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- PetscErrorCode :: ierr
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+ integer :: ierr
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+
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external :: &
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- quit, &
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- MPI_file_open, &
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- MPI_file_close, &
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- MPI_file_seek, &
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- MPI_file_get_position, &
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- MPI_file_write, &
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- MPI_abort, &
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- MPI_finalize, &
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- MPI_allreduce, &
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- PETScFinalize
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+ quit
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+
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!--------------------------------------------------------------------------------------------------
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! init DAMASK (all modules)
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@@ -448,7 +440,7 @@ program DAMASK_spectral
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call MPI_file_write(resUnit, &
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reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
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[(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults]), &
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- (outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults, &
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+ int((outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults), &
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MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
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if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write')
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enddo
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@@ -636,8 +628,7 @@ program DAMASK_spectral
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notConvergedCounter = notConvergedCounter + 1_pInt
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endif; flush(6)
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if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
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- if (worldrank == 0) &
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- write(6,'(1/,a)') ' ... writing results to file ......................................'
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+ write(6,'(1/,a)') ' ... writing results to file ......................................'
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call materialpoint_postResults()
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call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
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if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
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@@ -646,7 +637,7 @@ program DAMASK_spectral
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min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
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call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
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[(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults]), &
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- (outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults,&
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+ int((outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults), &
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MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
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if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
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enddo
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diff --git a/src/constitutive.f90 b/src/constitutive.f90
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index 202242ae..f124e545 100644
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--- a/src/constitutive.f90
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+++ b/src/constitutive.f90
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@@ -186,11 +186,11 @@ subroutine constitutive_init()
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if (any(phase_kinematics == KINEMATICS_hydrogen_strain_ID)) call kinematics_hydrogen_strain_init(FILEUNIT)
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close(FILEUNIT)
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- mainProcess: if (worldrank == 0) then
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- write(6,'(/,a)') ' <<<+- constitutive init -+>>>'
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- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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+ write(6,'(/,a)') ' <<<+- constitutive init -+>>>'
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+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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+ mainProcess: if (worldrank == 0) then
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!--------------------------------------------------------------------------------------------------
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! write description file for constitutive output
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call IO_write_jobFile(FILEUNIT,'outputConstitutive')
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diff --git a/src/damage_local.f90 b/src/damage_local.f90
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index a24f0b1a..2f301493 100644
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--- a/src/damage_local.f90
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+++ b/src/damage_local.f90
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@@ -72,8 +72,6 @@ subroutine damage_local_init(fileUnit)
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damage, &
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damage_initialPhi, &
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material_partHomogenization
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- use numerics,only: &
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- worldrank
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implicit none
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integer(pInt), intent(in) :: fileUnit
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@@ -86,11 +84,9 @@ subroutine damage_local_init(fileUnit)
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tag = '', &
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line = ''
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- mainProcess: if (worldrank == 0) then
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- write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_local_label//' init -+>>>'
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- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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+ write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_local_label//' init -+>>>'
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+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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- endif mainProcess
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maxNinstance = int(count(damage_type == DAMAGE_local_ID),pInt)
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if (maxNinstance == 0_pInt) return
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diff --git a/src/damage_none.f90 b/src/damage_none.f90
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index 746de340..4750f594 100644
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--- a/src/damage_none.f90
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+++ b/src/damage_none.f90
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@@ -26,19 +26,15 @@ subroutine damage_none_init()
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use IO, only: &
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IO_timeStamp
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use material
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- use numerics, only: &
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- worldrank
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implicit none
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integer(pInt) :: &
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homog, &
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NofMyHomog
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- mainProcess: if (worldrank == 0) then
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- write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_none_label//' init -+>>>'
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- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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+ write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_none_label//' init -+>>>'
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+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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- endif mainProcess
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initializeInstances: do homog = 1_pInt, material_Nhomogenization
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diff --git a/src/damage_nonlocal.f90 b/src/damage_nonlocal.f90
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index fb960ed7..cd6ba8a5 100644
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--- a/src/damage_nonlocal.f90
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+++ b/src/damage_nonlocal.f90
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@@ -77,8 +77,6 @@ subroutine damage_nonlocal_init(fileUnit)
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damage, &
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damage_initialPhi, &
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material_partHomogenization
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- use numerics,only: &
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- worldrank
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implicit none
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integer(pInt), intent(in) :: fileUnit
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@@ -91,11 +89,9 @@ subroutine damage_nonlocal_init(fileUnit)
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tag = '', &
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line = ''
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- mainProcess: if (worldrank == 0) then
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- write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_nonlocal_label//' init -+>>>'
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- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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+ write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_nonlocal_label//' init -+>>>'
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+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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- endif mainProcess
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maxNinstance = int(count(damage_type == DAMAGE_nonlocal_ID),pInt)
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if (maxNinstance == 0_pInt) return
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diff --git a/src/homogenization_RGC.f90 b/src/homogenization_RGC.f90
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index 43c16a39..84cb594d 100644
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--- a/src/homogenization_RGC.f90
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+++ b/src/homogenization_RGC.f90
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@@ -100,8 +100,6 @@ subroutine homogenization_RGC_init(fileUnit)
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FE_geomtype
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use IO
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use material
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- use numerics, only: &
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- worldrank
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implicit none
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integer(pInt), intent(in) :: fileUnit !< file pointer to material configuration
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@@ -117,11 +115,9 @@ subroutine homogenization_RGC_init(fileUnit)
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tag = '', &
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line = ''
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- mainProcess: if (worldrank == 0) then
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- write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_RGC_label//' init -+>>>'
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- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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+ write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_RGC_label//' init -+>>>'
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+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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- endif mainProcess
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maxNinstance = int(count(homogenization_type == HOMOGENIZATION_RGC_ID),pInt)
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if (maxNinstance == 0_pInt) return
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diff --git a/src/homogenization_isostrain.f90 b/src/homogenization_isostrain.f90
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index aeb77c27..055bfbb4 100644
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--- a/src/homogenization_isostrain.f90
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+++ b/src/homogenization_isostrain.f90
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@@ -62,8 +62,6 @@ subroutine homogenization_isostrain_init(fileUnit)
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debug_levelBasic
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use IO
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use material
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- use numerics, only: &
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- worldrank
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implicit none
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integer(pInt), intent(in) :: fileUnit
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@@ -80,11 +78,9 @@ subroutine homogenization_isostrain_init(fileUnit)
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tag = '', &
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line = ''
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- mainProcess: if (worldrank == 0) then
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- write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_ISOSTRAIN_label//' init -+>>>'
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- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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+ write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_ISOSTRAIN_label//' init -+>>>'
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+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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- endif mainProcess
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maxNinstance = count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)
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if (maxNinstance == 0) return
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diff --git a/src/homogenization_none.f90 b/src/homogenization_none.f90
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index 11bed781..75d8bcd3 100644
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--- a/src/homogenization_none.f90
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+++ b/src/homogenization_none.f90
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@@ -29,21 +29,17 @@ subroutine homogenization_none_init()
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use IO, only: &
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IO_timeStamp
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use material
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- use numerics, only: &
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- worldrank
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implicit none
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integer(pInt) :: &
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homog, &
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NofMyHomog
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- mainProcess: if (worldrank == 0) then
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- write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_NONE_label//' init -+>>>'
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- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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+ write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_NONE_label//' init -+>>>'
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+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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- endif mainProcess
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- initializeInstances: do homog = 1_pInt, material_Nhomogenization
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+ initializeInstances: do homog = 1_pInt, material_Nhomogenization
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myhomog: if (homogenization_type(homog) == HOMOGENIZATION_none_ID) then
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NofMyHomog = count(material_homog == homog)
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diff --git a/src/hydrogenflux_cahnhilliard.f90 b/src/hydrogenflux_cahnhilliard.f90
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index db08bf5d..89479a9c 100644
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--- a/src/hydrogenflux_cahnhilliard.f90
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+++ b/src/hydrogenflux_cahnhilliard.f90
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@@ -84,8 +84,6 @@ subroutine hydrogenflux_cahnhilliard_init(fileUnit)
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hydrogenflux_initialCh, &
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material_partHomogenization, &
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material_partPhase
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- use numerics,only: &
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- worldrank
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implicit none
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integer(pInt), intent(in) :: fileUnit
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@@ -98,11 +96,9 @@ subroutine hydrogenflux_cahnhilliard_init(fileUnit)
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tag = '', &
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line = ''
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- mainProcess: if (worldrank == 0) then
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- write(6,'(/,a)') ' <<<+- hydrogenflux_'//HYDROGENFLUX_cahnhilliard_label//' init -+>>>'
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- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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+ write(6,'(/,a)') ' <<<+- hydrogenflux_'//HYDROGENFLUX_cahnhilliard_label//' init -+>>>'
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+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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- endif mainProcess
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maxNinstance = int(count(hydrogenflux_type == HYDROGENFLUX_cahnhilliard_ID),pInt)
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if (maxNinstance == 0_pInt) return
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diff --git a/src/hydrogenflux_isoconc.f90 b/src/hydrogenflux_isoconc.f90
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index df5c01e6..bef2a843 100644
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--- a/src/hydrogenflux_isoconc.f90
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+++ b/src/hydrogenflux_isoconc.f90
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@@ -27,21 +27,17 @@ subroutine hydrogenflux_isoconc_init()
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use IO, only: &
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IO_timeStamp
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use material
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- use numerics, only: &
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- worldrank
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implicit none
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integer(pInt) :: &
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homog, &
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NofMyHomog
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- mainProcess: if (worldrank == 0) then
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- write(6,'(/,a)') ' <<<+- hydrogenflux_'//HYDROGENFLUX_isoconc_label//' init -+>>>'
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- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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+ write(6,'(/,a)') ' <<<+- hydrogenflux_'//HYDROGENFLUX_isoconc_label//' init -+>>>'
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+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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- endif mainProcess
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- initializeInstances: do homog = 1_pInt, material_Nhomogenization
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+ initializeInstances: do homog = 1_pInt, material_Nhomogenization
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myhomog: if (hydrogenflux_type(homog) == HYDROGENFLUX_isoconc_ID) then
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NofMyHomog = count(material_homog == homog)
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diff --git a/src/kinematics_cleavage_opening.f90 b/src/kinematics_cleavage_opening.f90
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index 146918f5..fffa2616 100644
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--- a/src/kinematics_cleavage_opening.f90
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+++ b/src/kinematics_cleavage_opening.f90
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@@ -81,8 +81,6 @@ subroutine kinematics_cleavage_opening_init(fileUnit)
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KINEMATICS_cleavage_opening_ID, &
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material_Nphase, &
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MATERIAL_partPhase
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- use numerics,only: &
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- worldrank
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use lattice, only: &
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lattice_maxNcleavageFamily, &
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lattice_NcleavageSystem
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@@ -97,11 +95,9 @@ subroutine kinematics_cleavage_opening_init(fileUnit)
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tag = '', &
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line = ''
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- mainProcess: if (worldrank == 0) then
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- write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_cleavage_opening_LABEL//' init -+>>>'
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- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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+ write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_cleavage_opening_LABEL//' init -+>>>'
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+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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- endif mainProcess
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maxNinstance = int(count(phase_kinematics == KINEMATICS_cleavage_opening_ID),pInt)
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if (maxNinstance == 0_pInt) return
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diff --git a/src/kinematics_slipplane_opening.f90 b/src/kinematics_slipplane_opening.f90
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index f32efa92..07b98aa2 100644
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--- a/src/kinematics_slipplane_opening.f90
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+++ b/src/kinematics_slipplane_opening.f90
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@@ -81,8 +81,6 @@ subroutine kinematics_slipplane_opening_init(fileUnit)
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KINEMATICS_slipplane_opening_ID, &
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material_Nphase, &
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MATERIAL_partPhase
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- use numerics,only: &
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- worldrank
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use lattice, only: &
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lattice_maxNslipFamily, &
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lattice_NslipSystem
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@@ -97,11 +95,9 @@ subroutine kinematics_slipplane_opening_init(fileUnit)
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tag = '', &
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line = ''
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- mainProcess: if (worldrank == 0) then
|
|
- write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_slipplane_opening_LABEL//' init -+>>>'
|
|
- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
+ write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_slipplane_opening_LABEL//' init -+>>>'
|
|
+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
#include "compilation_info.f90"
|
|
- endif mainProcess
|
|
|
|
maxNinstance = int(count(phase_kinematics == KINEMATICS_slipplane_opening_ID),pInt)
|
|
if (maxNinstance == 0_pInt) return
|
|
diff --git a/src/kinematics_thermal_expansion.f90 b/src/kinematics_thermal_expansion.f90
|
|
index 30c267d3..e7cbca67 100644
|
|
--- a/src/kinematics_thermal_expansion.f90
|
|
+++ b/src/kinematics_thermal_expansion.f90
|
|
@@ -71,8 +71,6 @@ subroutine kinematics_thermal_expansion_init(fileUnit)
|
|
KINEMATICS_thermal_expansion_ID, &
|
|
material_Nphase, &
|
|
MATERIAL_partPhase
|
|
- use numerics,only: &
|
|
- worldrank
|
|
|
|
implicit none
|
|
integer(pInt), intent(in) :: fileUnit
|
|
@@ -83,11 +81,9 @@ subroutine kinematics_thermal_expansion_init(fileUnit)
|
|
tag = '', &
|
|
line = ''
|
|
|
|
- mainProcess: if (worldrank == 0) then
|
|
- write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>'
|
|
- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
+ write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_thermal_expansion_LABEL//' init -+>>>'
|
|
+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
#include "compilation_info.f90"
|
|
- endif mainProcess
|
|
|
|
maxNinstance = int(count(phase_kinematics == KINEMATICS_thermal_expansion_ID),pInt)
|
|
if (maxNinstance == 0_pInt) return
|
|
diff --git a/src/kinematics_vacancy_strain.f90 b/src/kinematics_vacancy_strain.f90
|
|
index 791c0e3c..9558f506 100644
|
|
--- a/src/kinematics_vacancy_strain.f90
|
|
+++ b/src/kinematics_vacancy_strain.f90
|
|
@@ -71,8 +71,6 @@ subroutine kinematics_vacancy_strain_init(fileUnit)
|
|
KINEMATICS_vacancy_strain_ID, &
|
|
material_Nphase, &
|
|
MATERIAL_partPhase
|
|
- use numerics,only: &
|
|
- worldrank
|
|
|
|
implicit none
|
|
integer(pInt), intent(in) :: fileUnit
|
|
@@ -83,11 +81,9 @@ subroutine kinematics_vacancy_strain_init(fileUnit)
|
|
tag = '', &
|
|
line = ''
|
|
|
|
- mainProcess: if (worldrank == 0) then
|
|
- write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_vacancy_strain_LABEL//' init -+>>>'
|
|
- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
+ write(6,'(/,a)') ' <<<+- kinematics_'//KINEMATICS_vacancy_strain_LABEL//' init -+>>>'
|
|
+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
#include "compilation_info.f90"
|
|
- endif mainProcess
|
|
|
|
maxNinstance = int(count(phase_kinematics == KINEMATICS_vacancy_strain_ID),pInt)
|
|
if (maxNinstance == 0_pInt) return
|
|
diff --git a/src/mesh.f90 b/src/mesh.f90
|
|
index 87160f2c..6e3b4823 100644
|
|
--- a/src/mesh.f90
|
|
+++ b/src/mesh.f90
|
|
@@ -115,11 +115,6 @@ module mesh
|
|
logical, private :: noPart !< for cases where the ABAQUS input file does not use part/assembly information
|
|
#endif
|
|
|
|
-#ifdef Spectral
|
|
-#include <petsc/finclude/petscsys.h>
|
|
- include 'fftw3-mpi.f03'
|
|
-#endif
|
|
-
|
|
! These definitions should actually reside in the FE-solver specific part (different for MARC/ABAQUS)
|
|
! Hence, I suggest to prefix with "FE_"
|
|
|
|
@@ -476,6 +471,10 @@ subroutine mesh_init(ip,el)
|
|
use, intrinsic :: iso_fortran_env, only: &
|
|
compiler_version, &
|
|
compiler_options
|
|
+#endif
|
|
+#ifdef Spectral
|
|
+#include <petsc/finclude/petscsys.h>
|
|
+ use petscsys
|
|
#endif
|
|
use DAMASK_interface
|
|
use IO, only: &
|
|
@@ -511,6 +510,7 @@ subroutine mesh_init(ip,el)
|
|
|
|
implicit none
|
|
#ifdef Spectral
|
|
+ include 'fftw3-mpi.f03'
|
|
integer(C_INTPTR_T) :: devNull, local_K, local_K_offset
|
|
integer :: ierr, worldsize
|
|
#endif
|
|
diff --git a/src/numerics.f90 b/src/numerics.f90
|
|
index 2085e221..d2d00f3e 100644
|
|
--- a/src/numerics.f90
|
|
+++ b/src/numerics.f90
|
|
@@ -10,9 +10,6 @@ module numerics
|
|
|
|
implicit none
|
|
private
|
|
-#ifdef PETSc
|
|
-#include <petsc/finclude/petsc.h90>
|
|
-#endif
|
|
character(len=64), parameter, private :: &
|
|
numerics_CONFIGFILE = 'numerics.config' !< name of configuration file
|
|
|
|
@@ -216,6 +213,10 @@ subroutine numerics_init
|
|
IO_warning, &
|
|
IO_timeStamp, &
|
|
IO_EOF
|
|
+#ifdef PETSc
|
|
+#include <petsc/finclude/petscsys.h>
|
|
+ use petscsys
|
|
+#endif
|
|
#if defined(Spectral) || defined(FEM)
|
|
!$ use OMP_LIB, only: omp_set_num_threads ! Use the standard conforming module file for omp if using the spectral solver
|
|
implicit none
|
|
@@ -232,10 +233,8 @@ subroutine numerics_init
|
|
line
|
|
!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
|
|
external :: &
|
|
- MPI_Comm_rank, &
|
|
- MPI_Comm_size, &
|
|
- MPI_Abort
|
|
-
|
|
+ PETScErrorF ! is called in the CHKERRQ macro
|
|
+
|
|
#ifdef PETSc
|
|
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
|
|
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
|
|
diff --git a/src/spectral_damage.f90 b/src/spectral_damage.f90
|
|
index 72765987..cea6f69c 100644
|
|
--- a/src/spectral_damage.f90
|
|
+++ b/src/spectral_damage.f90
|
|
@@ -4,8 +4,10 @@
|
|
!> @brief Spectral solver for nonlocal damage
|
|
!--------------------------------------------------------------------------------------------------
|
|
module spectral_damage
|
|
+#include <petsc/finclude/petsc.h>
|
|
+ use PETSC
|
|
use prec, only: &
|
|
- pInt, &
|
|
+ PInt, &
|
|
pReal
|
|
use math, only: &
|
|
math_I3
|
|
@@ -18,7 +20,6 @@ module spectral_damage
|
|
|
|
implicit none
|
|
private
|
|
-#include <petsc/finclude/petsc.h90>
|
|
|
|
character (len=*), parameter, public :: &
|
|
spectral_damage_label = 'spectraldamage'
|
|
@@ -48,11 +49,9 @@ module spectral_damage
|
|
spectral_damage_solution, &
|
|
spectral_damage_forward, &
|
|
spectral_damage_destroy
|
|
+
|
|
external :: &
|
|
- PETScFinalize, &
|
|
- MPI_Abort, &
|
|
- MPI_Bcast, &
|
|
- MPI_Allreduce
|
|
+ PETScErrorF ! is called in the CHKERRQ macro
|
|
|
|
contains
|
|
|
|
@@ -86,21 +85,12 @@ subroutine spectral_damage_init()
|
|
Vec :: uBound, lBound
|
|
PetscErrorCode :: ierr
|
|
character(len=100) :: snes_type
|
|
-
|
|
external :: &
|
|
- SNESCreate, &
|
|
SNESSetOptionsPrefix, &
|
|
+ SNESGetType, &
|
|
DMDACreate3D, &
|
|
- SNESSetDM, &
|
|
DMDAGetCorners, &
|
|
- DMCreateGlobalVector, &
|
|
- DMDASNESSetFunctionLocal, &
|
|
- SNESSetFromOptions, &
|
|
- SNESGetType, &
|
|
- VecSet, &
|
|
- DMGetGlobalVector, &
|
|
- DMRestoreGlobalVector, &
|
|
- SNESVISetVariableBounds
|
|
+ DMDASNESSetFunctionLocal
|
|
|
|
write(6,'(/,a)') ' <<<+- spectral_damage init -+>>>'
|
|
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
@@ -114,7 +104,7 @@ subroutine spectral_damage_init()
|
|
do proc = 1, worldsize
|
|
call MPI_Bcast(localK(proc),1,MPI_INTEGER,proc-1,PETSC_COMM_WORLD,ierr)
|
|
enddo
|
|
- call DMDACreate3d(PETSC_COMM_WORLD, &
|
|
+ call DMDACreate3D(PETSC_COMM_WORLD, &
|
|
DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, DM_BOUNDARY_NONE, & !< cut off stencil at boundary
|
|
DMDA_STENCIL_BOX, & !< Moore (26) neighborhood around central point
|
|
grid(1),grid(2),grid(3), & !< global grid
|
|
@@ -126,7 +116,7 @@ subroutine spectral_damage_init()
|
|
call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) !< connect snes to da
|
|
call DMCreateGlobalVector(damage_grid,solution,ierr); CHKERRQ(ierr) !< global solution vector (grid x 1, i.e. every def grad tensor)
|
|
call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,spectral_damage_formResidual,&
|
|
- PETSC_NULL_OBJECT,ierr) !< residual vector of same shape as solution vector
|
|
+ PETSC_NULL_SNES,ierr) !< residual vector of same shape as solution vector
|
|
CHKERRQ(ierr)
|
|
call SNESSetFromOptions(damage_snes,ierr); CHKERRQ(ierr) !< pull it all together with additional cli arguments
|
|
call SNESGetType(damage_snes,snes_type,ierr); CHKERRQ(ierr)
|
|
@@ -214,7 +204,7 @@ type(tSolutionState) function spectral_damage_solution(timeinc,timeinc_old,loadC
|
|
params%timeinc = timeinc
|
|
params%timeincOld = timeinc_old
|
|
|
|
- call SNESSolve(damage_snes,PETSC_NULL_OBJECT,solution,ierr); CHKERRQ(ierr)
|
|
+ call SNESSolve(damage_snes,PETSC_NULL_SNES,solution,ierr); CHKERRQ(ierr)
|
|
call SNESGetConvergedReason(damage_snes,reason,ierr); CHKERRQ(ierr)
|
|
|
|
if (reason < 1) then
|
|
@@ -360,9 +350,6 @@ subroutine spectral_damage_forward()
|
|
PetscScalar, dimension(:,:,:), pointer :: x_scal
|
|
PetscErrorCode :: ierr
|
|
|
|
- external :: &
|
|
- SNESGetDM
|
|
-
|
|
if (cutBack) then
|
|
damage_current = damage_lastInc
|
|
damage_stagInc = damage_lastInc
|
|
@@ -405,10 +392,6 @@ subroutine spectral_damage_destroy()
|
|
implicit none
|
|
PetscErrorCode :: ierr
|
|
|
|
- external :: &
|
|
- VecDestroy, &
|
|
- SNESDestroy
|
|
-
|
|
call VecDestroy(solution,ierr); CHKERRQ(ierr)
|
|
call SNESDestroy(damage_snes,ierr); CHKERRQ(ierr)
|
|
|
|
diff --git a/src/spectral_interface.f90 b/src/spectral_interface.f90
|
|
index 3c8489d0..51360ac1 100644
|
|
--- a/src/spectral_interface.f90
|
|
+++ b/src/spectral_interface.f90
|
|
@@ -11,9 +11,9 @@
|
|
module DAMASK_interface
|
|
use prec, only: &
|
|
pInt
|
|
+
|
|
implicit none
|
|
private
|
|
-#include <petsc/finclude/petscsys.h>
|
|
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
|
|
character(len=1024), public, protected :: &
|
|
@@ -44,7 +44,13 @@ contains
|
|
subroutine DAMASK_interface_init()
|
|
use, intrinsic :: &
|
|
iso_fortran_env
|
|
-
|
|
+#include <petsc/finclude/petscsys.h>
|
|
+#if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR!=8
|
|
+===================================================================================================
|
|
+========================= THIS VERSION OF DAMASK REQUIRES PETSc 3.8.x =========================
|
|
+===================================================================================================
|
|
+#endif
|
|
+ use PETScSys
|
|
use system_routines, only: &
|
|
getHostName
|
|
|
|
@@ -71,12 +77,9 @@ subroutine DAMASK_interface_init()
|
|
PetscErrorCode :: ierr
|
|
logical :: error
|
|
external :: &
|
|
- quit,&
|
|
- MPI_Comm_rank,&
|
|
- MPI_Comm_size,&
|
|
- PETScInitialize, &
|
|
- MPI_Init_Thread, &
|
|
- MPI_abort
|
|
+ quit, &
|
|
+ PETScErrorF, & ! is called in the CHKERRQ macro
|
|
+ PETScInitialize
|
|
|
|
open(6, encoding='UTF-8') ! for special characters in output
|
|
|
|
@@ -89,7 +92,7 @@ subroutine DAMASK_interface_init()
|
|
call quit(1_pInt)
|
|
endif
|
|
#endif
|
|
- call PetscInitialize(PETSC_NULL_CHARACTER,ierr) ! according to PETSc manual, that should be the first line in the code
|
|
+ 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
|
|
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
|
|
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
|
|
@@ -102,10 +105,6 @@ subroutine DAMASK_interface_init()
|
|
write(output_unit,'(a)') ' STDERR != 0'
|
|
call quit(1_pInt)
|
|
endif
|
|
- if (PETSC_VERSION_MAJOR /= 3 .or. PETSC_VERSION_MINOR /= 7) then
|
|
- write(6,'(a,2(i1.1,a))') 'PETSc ',PETSC_VERSION_MAJOR,'.',PETSC_VERSION_MINOR,'.x not supported'
|
|
- call quit(1_pInt)
|
|
- endif
|
|
else mainProcess
|
|
close(6) ! disable output for non-master processes (open 6 to rank specific file for debug)
|
|
open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd
|
|
@@ -312,9 +311,9 @@ character(len=1024) function getGeometryFile(geometryParameter)
|
|
geometryParameter
|
|
character(len=1024) :: &
|
|
cwd
|
|
- integer :: posExt, posSep
|
|
- logical :: error
|
|
- external :: quit
|
|
+ integer :: posExt, posSep
|
|
+ logical :: error
|
|
+ external :: quit
|
|
|
|
getGeometryFile = geometryParameter
|
|
posExt = scan(getGeometryFile,'.',back=.true.)
|
|
diff --git a/src/spectral_mech_AL.f90 b/src/spectral_mech_AL.f90
|
|
index 6d0fff28..e7ff0fbe 100644
|
|
--- a/src/spectral_mech_AL.f90
|
|
+++ b/src/spectral_mech_AL.f90
|
|
@@ -5,6 +5,8 @@
|
|
!> @brief AL scheme solver
|
|
!--------------------------------------------------------------------------------------------------
|
|
module spectral_mech_AL
|
|
+#include <petsc/finclude/petsc.h>
|
|
+ use PETSC
|
|
use prec, only: &
|
|
pInt, &
|
|
pReal
|
|
@@ -16,7 +18,6 @@ module spectral_mech_AL
|
|
|
|
implicit none
|
|
private
|
|
-#include <petsc/finclude/petsc.h90>
|
|
|
|
character (len=*), parameter, public :: &
|
|
DAMASK_spectral_solverAL_label = 'al'
|
|
@@ -71,11 +72,9 @@ module spectral_mech_AL
|
|
AL_solution, &
|
|
AL_forward, &
|
|
AL_destroy
|
|
+
|
|
external :: &
|
|
- PETScFinalize, &
|
|
- MPI_Abort, &
|
|
- MPI_Bcast, &
|
|
- MPI_Allreduce
|
|
+ PETScErrorF ! is called in the CHKERRQ macro
|
|
|
|
contains
|
|
|
|
@@ -121,21 +120,17 @@ subroutine AL_init
|
|
|
|
PetscErrorCode :: ierr
|
|
PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_lambda
|
|
+
|
|
integer(pInt), dimension(:), allocatable :: localK
|
|
integer(pInt) :: proc
|
|
character(len=1024) :: rankStr
|
|
-
|
|
+
|
|
external :: &
|
|
- SNESCreate, &
|
|
- SNESSetOptionsPrefix, &
|
|
- DMDACreate3D, &
|
|
- SNESSetDM, &
|
|
- DMCreateGlobalVector, &
|
|
- DMDASNESSetFunctionLocal, &
|
|
- SNESGetConvergedReason, &
|
|
+ SNESsetOptionsPrefix, &
|
|
SNESSetConvergenceTest, &
|
|
- SNESSetFromOptions
|
|
-
|
|
+ DMDAcreate3D, &
|
|
+ DMDASNESsetFunctionLocal
|
|
+
|
|
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
|
|
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
#include "compilation_info.f90"
|
|
@@ -166,9 +161,9 @@ subroutine AL_init
|
|
CHKERRQ(ierr)
|
|
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
|
call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
|
|
- call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_OBJECT,ierr)
|
|
+ call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_SNES,ierr)
|
|
CHKERRQ(ierr)
|
|
- call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr)
|
|
+ call SNESSetConvergenceTest(snes,AL_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr)
|
|
CHKERRQ(ierr)
|
|
call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
|
|
|
|
@@ -280,8 +275,7 @@ type(tSolutionState) function &
|
|
SNESConvergedReason :: reason
|
|
|
|
external :: &
|
|
- SNESSolve, &
|
|
- SNESGetConvergedReason
|
|
+ SNESsolve
|
|
|
|
incInfo = incInfoIn
|
|
|
|
@@ -304,7 +298,7 @@ type(tSolutionState) function &
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! solve BVP
|
|
- call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
|
+ call SNESSolve(snes,PETSC_NULL_SNES,solution_vec,ierr)
|
|
CHKERRQ(ierr)
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
@@ -383,10 +377,6 @@ subroutine AL_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|
integer(pInt) :: &
|
|
i, j, k, e
|
|
|
|
- external :: &
|
|
- SNESGetNumberFunctionEvals, &
|
|
- SNESGetIterationNumber
|
|
-
|
|
F => x_scal(1:3,1:3,1,&
|
|
XG_RANGE,YG_RANGE,ZG_RANGE)
|
|
F_lambda => x_scal(1:3,1:3,2,&
|
|
@@ -697,11 +687,6 @@ subroutine AL_destroy()
|
|
implicit none
|
|
PetscErrorCode :: ierr
|
|
|
|
- external :: &
|
|
- VecDestroy, &
|
|
- SNESDestroy, &
|
|
- DMDestroy
|
|
-
|
|
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
|
|
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
|
|
call DMDestroy(da,ierr); CHKERRQ(ierr)
|
|
diff --git a/src/spectral_mech_Basic.f90 b/src/spectral_mech_Basic.f90
|
|
index cfb72712..b02cfd8c 100644
|
|
--- a/src/spectral_mech_Basic.f90
|
|
+++ b/src/spectral_mech_Basic.f90
|
|
@@ -5,6 +5,8 @@
|
|
!> @brief Basic scheme PETSc solver
|
|
!--------------------------------------------------------------------------------------------------
|
|
module spectral_mech_basic
|
|
+#include <petsc/finclude/petsc.h>
|
|
+ use PETSC
|
|
use prec, only: &
|
|
pInt, &
|
|
pReal
|
|
@@ -16,7 +18,6 @@ module spectral_mech_basic
|
|
|
|
implicit none
|
|
private
|
|
-#include <petsc/finclude/petsc.h90>
|
|
|
|
character (len=*), parameter, public :: &
|
|
DAMASK_spectral_SolverBasicPETSC_label = 'basicpetsc'
|
|
@@ -60,11 +61,9 @@ module spectral_mech_basic
|
|
basicPETSc_solution, &
|
|
BasicPETSc_forward, &
|
|
basicPETSc_destroy
|
|
+
|
|
external :: &
|
|
- PETScFinalize, &
|
|
- MPI_Abort, &
|
|
- MPI_Bcast, &
|
|
- MPI_Allreduce
|
|
+ PETScErrorF ! is called in the CHKERRQ macro
|
|
|
|
contains
|
|
|
|
@@ -116,16 +115,11 @@ subroutine basicPETSc_init
|
|
character(len=1024) :: rankStr
|
|
|
|
external :: &
|
|
- SNESCreate, &
|
|
- SNESSetOptionsPrefix, &
|
|
- DMDACreate3D, &
|
|
- SNESSetDM, &
|
|
- DMCreateGlobalVector, &
|
|
- DMDASNESSetFunctionLocal, &
|
|
- SNESGetConvergedReason, &
|
|
+ SNESsetOptionsPrefix, &
|
|
SNESSetConvergenceTest, &
|
|
- SNESSetFromOptions
|
|
-
|
|
+ DMDAcreate3D, &
|
|
+ DMDASNESsetFunctionLocal
|
|
+
|
|
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasicPETSc init -+>>>'
|
|
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
#include "compilation_info.f90"
|
|
@@ -152,14 +146,14 @@ subroutine basicPETSc_init
|
|
grid(1),grid(2),localK, & ! local grid
|
|
da,ierr) ! handle, error
|
|
CHKERRQ(ierr)
|
|
- call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
|
- call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
|
- call DMDASNESSetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
|
+ call SNESsetDM(snes,da,ierr); CHKERRQ(ierr)
|
|
+ call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
|
|
+ call DMDASNESsetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
|
CHKERRQ(ierr)
|
|
- call SNESSetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
|
- call SNESSetConvergenceTest(snes,BasicPETSC_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
|
+ call SNESsetDM(snes,da,ierr); CHKERRQ(ierr) ! connect snes to da
|
|
+ call SNESsetConvergenceTest(snes,BasicPETSC_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
|
|
CHKERRQ(ierr)
|
|
- call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
|
+ call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! init fields
|
|
@@ -253,8 +247,7 @@ type(tSolutionState) function &
|
|
SNESConvergedReason :: reason
|
|
|
|
external :: &
|
|
- SNESSolve, &
|
|
- SNESGetConvergedReason
|
|
+ SNESsolve
|
|
|
|
incInfo = incInfoIn
|
|
|
|
@@ -274,7 +267,7 @@ type(tSolutionState) function &
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! solve BVP
|
|
- call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
|
+ call SNESSolve(snes,PETSC_NULL_SNES,solution_vec,ierr)
|
|
CHKERRQ(ierr)
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
@@ -337,10 +330,6 @@ subroutine BasicPETSC_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|
PetscObject :: dummy
|
|
PetscErrorCode :: ierr
|
|
|
|
- external :: &
|
|
- SNESGetNumberFunctionEvals, &
|
|
- SNESGetIterationNumber
|
|
-
|
|
call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr)
|
|
call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr)
|
|
|
|
@@ -556,11 +545,6 @@ subroutine BasicPETSc_destroy()
|
|
implicit none
|
|
PetscErrorCode :: ierr
|
|
|
|
- external :: &
|
|
- VecDestroy, &
|
|
- SNESDestroy, &
|
|
- DMDestroy
|
|
-
|
|
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
|
|
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
|
|
call DMDestroy(da,ierr); CHKERRQ(ierr)
|
|
diff --git a/src/spectral_mech_Polarisation.f90 b/src/spectral_mech_Polarisation.f90
|
|
index ecf707d4..2b9dddc0 100644
|
|
--- a/src/spectral_mech_Polarisation.f90
|
|
+++ b/src/spectral_mech_Polarisation.f90
|
|
@@ -5,6 +5,8 @@
|
|
!> @brief Polarisation scheme solver
|
|
!--------------------------------------------------------------------------------------------------
|
|
module spectral_mech_Polarisation
|
|
+#include <petsc/finclude/petsc.h>
|
|
+ use PETSC
|
|
use prec, only: &
|
|
pInt, &
|
|
pReal
|
|
@@ -16,7 +18,6 @@ module spectral_mech_Polarisation
|
|
|
|
implicit none
|
|
private
|
|
-#include <petsc/finclude/petsc.h90>
|
|
|
|
character (len=*), parameter, public :: &
|
|
DAMASK_spectral_solverPolarisation_label = 'polarisation'
|
|
@@ -71,11 +72,9 @@ module spectral_mech_Polarisation
|
|
Polarisation_solution, &
|
|
Polarisation_forward, &
|
|
Polarisation_destroy
|
|
+
|
|
external :: &
|
|
- PETScFinalize, &
|
|
- MPI_Abort, &
|
|
- MPI_Bcast, &
|
|
- MPI_Allreduce
|
|
+ PETScErrorF ! is called in the CHKERRQ macro
|
|
|
|
contains
|
|
|
|
@@ -121,21 +120,17 @@ subroutine Polarisation_init
|
|
|
|
PetscErrorCode :: ierr
|
|
PetscScalar, pointer, dimension(:,:,:,:) :: xx_psc, F, F_tau
|
|
+
|
|
integer(pInt), dimension(:), allocatable :: localK
|
|
integer(pInt) :: proc
|
|
character(len=1024) :: rankStr
|
|
-
|
|
+
|
|
external :: &
|
|
- SNESCreate, &
|
|
- SNESSetOptionsPrefix, &
|
|
- DMDACreate3D, &
|
|
- SNESSetDM, &
|
|
- DMCreateGlobalVector, &
|
|
- DMDASNESSetFunctionLocal, &
|
|
- SNESGetConvergedReason, &
|
|
+ SNESsetOptionsPrefix, &
|
|
SNESSetConvergenceTest, &
|
|
- SNESSetFromOptions
|
|
-
|
|
+ DMDAcreate3D, &
|
|
+ DMDASNESsetFunctionLocal
|
|
+
|
|
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>'
|
|
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
#include "compilation_info.f90"
|
|
@@ -164,13 +159,13 @@ subroutine Polarisation_init
|
|
grid(1),grid(2),localK, & ! local grid
|
|
da,ierr) ! handle, error
|
|
CHKERRQ(ierr)
|
|
- call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
|
|
- call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
|
|
- call DMDASNESSetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_OBJECT,ierr)
|
|
+ call SNESsetDM(snes,da,ierr); CHKERRQ(ierr)
|
|
+ call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
|
|
+ call DMDASNESsetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_SNES,ierr)
|
|
CHKERRQ(ierr)
|
|
- call SNESSetConvergenceTest(snes,Polarisation_converged,PETSC_NULL_OBJECT,PETSC_NULL_FUNCTION,ierr)
|
|
+ call SNESsetConvergenceTest(snes,Polarisation_converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr)
|
|
CHKERRQ(ierr)
|
|
- call SNESSetFromOptions(snes,ierr); CHKERRQ(ierr)
|
|
+ call SNESsetFromOptions(snes,ierr); CHKERRQ(ierr)
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! init fields
|
|
@@ -280,8 +275,7 @@ type(tSolutionState) function &
|
|
SNESConvergedReason :: reason
|
|
|
|
external :: &
|
|
- SNESSolve, &
|
|
- SNESGetConvergedReason
|
|
+ SNESsolve
|
|
|
|
incInfo = incInfoIn
|
|
|
|
@@ -304,7 +298,7 @@ type(tSolutionState) function &
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! solve BVP
|
|
- call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
|
|
+ call SNESSolve(snes,PETSC_NULL_SNES,solution_vec,ierr)
|
|
CHKERRQ(ierr)
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
@@ -383,10 +377,6 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr)
|
|
integer(pInt) :: &
|
|
i, j, k, e
|
|
|
|
- external :: &
|
|
- SNESGetNumberFunctionEvals, &
|
|
- SNESGetIterationNumber
|
|
-
|
|
F => x_scal(1:3,1:3,1,&
|
|
XG_RANGE,YG_RANGE,ZG_RANGE)
|
|
F_tau => x_scal(1:3,1:3,2,&
|
|
@@ -698,11 +688,6 @@ subroutine Polarisation_destroy()
|
|
implicit none
|
|
PetscErrorCode :: ierr
|
|
|
|
- external :: &
|
|
- VecDestroy, &
|
|
- SNESDestroy, &
|
|
- DMDestroy
|
|
-
|
|
call VecDestroy(solution_vec,ierr); CHKERRQ(ierr)
|
|
call SNESDestroy(snes,ierr); CHKERRQ(ierr)
|
|
call DMDestroy(da,ierr); CHKERRQ(ierr)
|
|
diff --git a/src/spectral_thermal.f90 b/src/spectral_thermal.f90
|
|
index 322f1203..cc0f7678 100644
|
|
--- a/src/spectral_thermal.f90
|
|
+++ b/src/spectral_thermal.f90
|
|
@@ -4,6 +4,8 @@
|
|
!> @brief Spectral solver for thermal conduction
|
|
!--------------------------------------------------------------------------------------------------
|
|
module spectral_thermal
|
|
+#include <petsc/finclude/petsc.h>
|
|
+ use PETSC
|
|
use prec, only: &
|
|
pInt, &
|
|
pReal
|
|
@@ -18,7 +20,6 @@ module spectral_thermal
|
|
|
|
implicit none
|
|
private
|
|
-#include <petsc/finclude/petsc.h90>
|
|
|
|
character (len=*), parameter, public :: &
|
|
spectral_thermal_label = 'spectralthermal'
|
|
@@ -48,11 +49,9 @@ module spectral_thermal
|
|
spectral_thermal_solution, &
|
|
spectral_thermal_forward, &
|
|
spectral_thermal_destroy
|
|
+
|
|
external :: &
|
|
- PETScFinalize, &
|
|
- MPI_Abort, &
|
|
- MPI_Bcast, &
|
|
- MPI_Allreduce
|
|
+ PETScErrorF ! is called in the CHKERRQ macro
|
|
|
|
contains
|
|
|
|
@@ -84,28 +83,24 @@ subroutine spectral_thermal_init
|
|
thermalMapping
|
|
|
|
implicit none
|
|
- integer(pInt), dimension(:), allocatable :: localK
|
|
- integer(pInt) :: proc
|
|
integer(pInt) :: i, j, k, cell
|
|
DM :: thermal_grid
|
|
- PetscScalar, dimension(:,:,:), pointer :: x_scal
|
|
+
|
|
PetscErrorCode :: ierr
|
|
+ PetscScalar, dimension(:,:,:), pointer :: x_scal
|
|
+
|
|
+ integer(pInt), dimension(:), allocatable :: localK
|
|
+ integer(pInt) :: proc
|
|
|
|
external :: &
|
|
- SNESCreate, &
|
|
- SNESSetOptionsPrefix, &
|
|
- DMDACreate3D, &
|
|
- SNESSetDM, &
|
|
- DMDAGetCorners, &
|
|
- DMCreateGlobalVector, &
|
|
- DMDASNESSetFunctionLocal, &
|
|
- SNESSetFromOptions
|
|
-
|
|
- mainProcess: if (worldrank == 0_pInt) then
|
|
- write(6,'(/,a)') ' <<<+- spectral_thermal init -+>>>'
|
|
- write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
+ SNESsetOptionsPrefix, &
|
|
+ DMDAcreate3D, &
|
|
+ DMDAgetCorners, &
|
|
+ DMDASNESsetFunctionLocal
|
|
+
|
|
+ write(6,'(/,a)') ' <<<+- spectral_thermal init -+>>>'
|
|
+ write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
#include "compilation_info.f90"
|
|
- endif mainProcess
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
! initialize solver specific parts of PETSc
|
|
@@ -127,7 +122,7 @@ subroutine spectral_thermal_init
|
|
call SNESSetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
|
|
call DMCreateGlobalVector(thermal_grid,solution ,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
|
|
call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,spectral_thermal_formResidual,&
|
|
- PETSC_NULL_OBJECT,ierr) ! residual vector of same shape as solution vector
|
|
+ PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
|
|
CHKERRQ(ierr)
|
|
call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
|
|
|
|
@@ -215,7 +210,7 @@ type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,load
|
|
params%timeinc = timeinc
|
|
params%timeincOld = timeinc_old
|
|
|
|
- call SNESSolve(thermal_snes,PETSC_NULL_OBJECT,solution,ierr); CHKERRQ(ierr)
|
|
+ call SNESSolve(thermal_snes,PETSC_NULL_SNES,solution,ierr); CHKERRQ(ierr)
|
|
call SNESGetConvergedReason(thermal_snes,reason,ierr); CHKERRQ(ierr)
|
|
|
|
if (reason < 1) then
|
|
@@ -245,14 +240,12 @@ type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,load
|
|
|
|
call VecMin(solution,position,minTemperature,ierr); CHKERRQ(ierr)
|
|
call VecMax(solution,position,maxTemperature,ierr); CHKERRQ(ierr)
|
|
- if (worldrank == 0) then
|
|
- if (spectral_thermal_solution%converged) &
|
|
- write(6,'(/,a)') ' ... thermal conduction converged ..................................'
|
|
- write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
|
|
- minTemperature, maxTemperature, stagNorm
|
|
- write(6,'(/,a)') ' ==========================================================================='
|
|
- flush(6)
|
|
- endif
|
|
+ if (spectral_thermal_solution%converged) &
|
|
+ write(6,'(/,a)') ' ... thermal conduction converged ..................................'
|
|
+ write(6,'(/,a,f8.4,2x,f8.4,2x,f8.4,/)',advance='no') ' Minimum|Maximum|Delta Temperature / K = ',&
|
|
+ minTemperature, maxTemperature, stagNorm
|
|
+ write(6,'(/,a)') ' ==========================================================================='
|
|
+ flush(6)
|
|
|
|
end function spectral_thermal_solution
|
|
|
|
diff --git a/src/spectral_utilities.f90 b/src/spectral_utilities.f90
|
|
index 1ad25174..bbef337f 100644
|
|
--- a/src/spectral_utilities.f90
|
|
+++ b/src/spectral_utilities.f90
|
|
@@ -5,15 +5,16 @@
|
|
!--------------------------------------------------------------------------------------------------
|
|
module spectral_utilities
|
|
use, intrinsic :: iso_c_binding
|
|
+#include <petsc/finclude/petscsys.h>
|
|
+ use PETScSys
|
|
use prec, only: &
|
|
pReal, &
|
|
pInt
|
|
use math, only: &
|
|
math_I3
|
|
-
|
|
+
|
|
implicit none
|
|
private
|
|
-#include <petsc/finclude/petscsys.h>
|
|
include 'fftw3-mpi.f03'
|
|
|
|
logical, public :: cutBack =.false. !< cut back of BVP solver in case convergence is not achieved or a material point is terminally ill
|
|
@@ -148,6 +149,8 @@ module spectral_utilities
|
|
FIELD_DAMAGE_ID
|
|
private :: &
|
|
utilities_getFreqDerivative
|
|
+ external :: &
|
|
+ PETScErrorF ! is called in the CHKERRQ macro
|
|
|
|
contains
|
|
|
|
@@ -196,12 +199,6 @@ subroutine utilities_init()
|
|
geomSize
|
|
|
|
implicit none
|
|
-
|
|
- external :: &
|
|
- PETScOptionsClear, &
|
|
- PETScOptionsInsertString, &
|
|
- MPI_Abort
|
|
-
|
|
PetscErrorCode :: ierr
|
|
integer(pInt) :: i, j, k
|
|
integer(pInt), dimension(3) :: k_s
|
|
@@ -215,6 +212,8 @@ subroutine utilities_init()
|
|
scalarSize = 1_C_INTPTR_T, &
|
|
vecSize = 3_C_INTPTR_T, &
|
|
tensorSize = 9_C_INTPTR_T
|
|
+ external :: &
|
|
+ PetscOptionsInsertString
|
|
|
|
write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>'
|
|
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
|
|
@@ -231,13 +230,13 @@ subroutine utilities_init()
|
|
trim(PETScDebug), &
|
|
' add more using the PETSc_Options keyword in numerics.config '; flush(6)
|
|
|
|
- call PetscOptionsClear(PETSC_NULL_OBJECT,ierr)
|
|
+ call PETScOptionsClear(PETSC_NULL_OPTIONS,ierr)
|
|
CHKERRQ(ierr)
|
|
- if(debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(PETSCDEBUG),ierr)
|
|
+ if(debugPETSc) call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),ierr)
|
|
CHKERRQ(ierr)
|
|
- call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(petsc_defaultOptions),ierr)
|
|
+ call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_defaultOptions),ierr)
|
|
CHKERRQ(ierr)
|
|
- call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(petsc_options),ierr)
|
|
+ call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_options),ierr)
|
|
CHKERRQ(ierr)
|
|
|
|
grid1Red = grid(1)/2_pInt + 1_pInt
|
|
@@ -632,9 +631,6 @@ real(pReal) function utilities_divergenceRMS()
|
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integer(pInt) :: i, j, k, ierr
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complex(pReal), dimension(3) :: rescaledGeom
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- external :: &
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- MPI_Allreduce
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-
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write(6,'(/,a)') ' ... calculating divergence ................................................'
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flush(6)
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@@ -686,9 +682,6 @@ real(pReal) function utilities_curlRMS()
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complex(pReal), dimension(3,3) :: curl_fourier
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complex(pReal), dimension(3) :: rescaledGeom
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- external :: &
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- MPI_Allreduce
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-
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write(6,'(/,a)') ' ... calculating curl ......................................................'
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flush(6)
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@@ -1096,9 +1089,6 @@ function utilities_forwardField(timeinc,field_lastInc,rate,aim)
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real(pReal), dimension(3,3) :: fieldDiff !< <a + adot*t> - aim
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PetscErrorCode :: ierr
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- external :: &
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- MPI_Allreduce
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-
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utilities_forwardField = field_lastInc + rate*timeinc
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if (present(aim)) then !< correct to match average
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fieldDiff = sum(sum(sum(utilities_forwardField,dim=5),dim=4),dim=3)*wgt
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@@ -1190,8 +1180,6 @@ subroutine utilities_updateIPcoords(F)
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integer(pInt) :: i, j, k, m, ierr
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real(pReal), dimension(3) :: step, offset_coords
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real(pReal), dimension(3,3) :: Favg
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- external &
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- MPI_Bcast
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!--------------------------------------------------------------------------------------------------
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! integration in Fourier space
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--
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2.15.0
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From 237f199bbf574bb2509123ce8b037ac751abd15d Mon Sep 17 00:00:00 2001
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From: Martin Diehl <m.diehl@mpie.de>
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Date: Sun, 5 Nov 2017 13:45:52 +0100
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Subject: [PATCH 2/3] extra function calls for da needed
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(https://lists.mcs.anl.gov/pipermail/petsc-users/2017-February/031538.html)
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SNESsolve requires PETSC_NULL_VEC not PETSC_NULL_SNES (indicating b=0)
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---
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src/spectral_damage.f90 | 4 +++-
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src/spectral_mech_AL.f90 | 5 +++--
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src/spectral_mech_Basic.f90 | 6 +++---
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src/spectral_mech_Polarisation.f90 | 5 +++--
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src/spectral_thermal.f90 | 22 ++++++++++++----------
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5 files changed, 24 insertions(+), 18 deletions(-)
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diff --git a/src/spectral_damage.f90 b/src/spectral_damage.f90
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index cea6f69c..2c195c56 100644
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--- a/src/spectral_damage.f90
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+++ b/src/spectral_damage.f90
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@@ -114,6 +114,8 @@ subroutine spectral_damage_init()
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damage_grid,ierr) !< handle, error
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CHKERRQ(ierr)
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call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) !< connect snes to da
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+ call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
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+ call DMsetUp(da,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(damage_grid,solution,ierr); CHKERRQ(ierr) !< global solution vector (grid x 1, i.e. every def grad tensor)
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call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,spectral_damage_formResidual,&
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PETSC_NULL_SNES,ierr) !< residual vector of same shape as solution vector
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@@ -204,7 +206,7 @@ type(tSolutionState) function spectral_damage_solution(timeinc,timeinc_old,loadC
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params%timeinc = timeinc
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params%timeincOld = timeinc_old
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- call SNESSolve(damage_snes,PETSC_NULL_SNES,solution,ierr); CHKERRQ(ierr)
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+ call SNESSolve(damage_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr)
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call SNESGetConvergedReason(damage_snes,reason,ierr); CHKERRQ(ierr)
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if (reason < 1) then
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diff --git a/src/spectral_mech_AL.f90 b/src/spectral_mech_AL.f90
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index e7ff0fbe..dc221f6c 100644
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--- a/src/spectral_mech_AL.f90
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+++ b/src/spectral_mech_AL.f90
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@@ -160,6 +160,8 @@ subroutine AL_init
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da,ierr) ! handle, error
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CHKERRQ(ierr)
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call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
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+ call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
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+ call DMsetUp(da,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
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call DMDASNESSetFunctionLocal(da,INSERT_VALUES,AL_formResidual,PETSC_NULL_SNES,ierr)
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CHKERRQ(ierr)
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@@ -298,8 +300,7 @@ type(tSolutionState) function &
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!--------------------------------------------------------------------------------------------------
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! solve BVP
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- call SNESSolve(snes,PETSC_NULL_SNES,solution_vec,ierr)
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- CHKERRQ(ierr)
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+ call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! check convergence
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diff --git a/src/spectral_mech_Basic.f90 b/src/spectral_mech_Basic.f90
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index b02cfd8c..c335f2d7 100644
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--- a/src/spectral_mech_Basic.f90
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+++ b/src/spectral_mech_Basic.f90
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@@ -147,6 +147,8 @@ subroutine basicPETSc_init
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da,ierr) ! handle, error
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CHKERRQ(ierr)
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call SNESsetDM(snes,da,ierr); CHKERRQ(ierr)
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+ call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
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+ call DMsetUp(da,ierr); CHKERRQ(ierr)
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call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr) ! global solution vector (grid x 9, i.e. every def grad tensor)
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call DMDASNESsetFunctionLocal(da,INSERT_VALUES,BasicPETSC_formResidual,PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
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CHKERRQ(ierr)
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@@ -158,7 +160,6 @@ subroutine basicPETSc_init
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!--------------------------------------------------------------------------------------------------
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! init fields
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call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
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-
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restart: if (restartInc > 1_pInt) then
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if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
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write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
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@@ -267,8 +268,7 @@ type(tSolutionState) function &
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!--------------------------------------------------------------------------------------------------
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! solve BVP
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- call SNESSolve(snes,PETSC_NULL_SNES,solution_vec,ierr)
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- CHKERRQ(ierr)
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+ call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! check convergence
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diff --git a/src/spectral_mech_Polarisation.f90 b/src/spectral_mech_Polarisation.f90
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index 2b9dddc0..3b024f56 100644
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--- a/src/spectral_mech_Polarisation.f90
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+++ b/src/spectral_mech_Polarisation.f90
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@@ -160,6 +160,8 @@ subroutine Polarisation_init
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da,ierr) ! handle, error
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CHKERRQ(ierr)
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call SNESsetDM(snes,da,ierr); CHKERRQ(ierr)
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+ call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
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+ call DMsetUp(da,ierr); CHKERRQ(ierr)
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call DMcreateGlobalVector(da,solution_vec,ierr); CHKERRQ(ierr)
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call DMDASNESsetFunctionLocal(da,INSERT_VALUES,Polarisation_formResidual,PETSC_NULL_SNES,ierr)
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CHKERRQ(ierr)
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@@ -298,8 +300,7 @@ type(tSolutionState) function &
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!--------------------------------------------------------------------------------------------------
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! solve BVP
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- call SNESSolve(snes,PETSC_NULL_SNES,solution_vec,ierr)
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- CHKERRQ(ierr)
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+ call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! check convergence
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diff --git a/src/spectral_thermal.f90 b/src/spectral_thermal.f90
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index cc0f7678..7115538c 100644
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--- a/src/spectral_thermal.f90
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+++ b/src/spectral_thermal.f90
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@@ -119,16 +119,18 @@ subroutine spectral_thermal_init
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grid (1),grid(2),localK, & ! local grid
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thermal_grid,ierr) ! handle, error
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CHKERRQ(ierr)
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- call SNESSetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
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- call DMCreateGlobalVector(thermal_grid,solution ,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
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- call DMDASNESSetFunctionLocal(thermal_grid,INSERT_VALUES,spectral_thermal_formResidual,&
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+ call SNESsetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
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+ call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
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+ call DMsetUp(da,ierr); CHKERRQ(ierr)
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+ call DMcreateGlobalVector(thermal_grid,solution,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
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+ call DMDASNESsetFunctionLocal(thermal_grid,INSERT_VALUES,spectral_thermal_formResidual,&
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PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
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CHKERRQ(ierr)
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- call SNESSetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
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+ call SNESsetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
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!--------------------------------------------------------------------------------------------------
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! init fields
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- call DMDAGetCorners(thermal_grid,xstart,ystart,zstart,xend,yend,zend,ierr)
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+ call DMDAgetCorners(thermal_grid,xstart,ystart,zstart,xend,yend,zend,ierr)
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CHKERRQ(ierr)
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xend = xstart + xend - 1
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yend = ystart + yend - 1
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@@ -144,9 +146,9 @@ subroutine spectral_thermal_init
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temperature_lastInc(i,j,k) = temperature_current(i,j,k)
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temperature_stagInc(i,j,k) = temperature_current(i,j,k)
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enddo; enddo; enddo
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- call DMDAVecGetArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
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+ call DMDAvecGetArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
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x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
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- call DMDAVecRestoreArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr)
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+ call DMDAvecRestoreArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr)
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!--------------------------------------------------------------------------------------------------
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! thermal reference diffusion update
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@@ -200,8 +202,8 @@ type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,load
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external :: &
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VecMin, &
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VecMax, &
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- SNESSolve, &
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- SNESGetConvergedReason
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+ SNESsolve, &
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+ SNESgetConvergedReason
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spectral_thermal_solution%converged =.false.
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@@ -210,7 +212,7 @@ type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,load
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params%timeinc = timeinc
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params%timeincOld = timeinc_old
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- call SNESSolve(thermal_snes,PETSC_NULL_SNES,solution,ierr); CHKERRQ(ierr)
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+ call SNESsolve(thermal_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr)
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call SNESGetConvergedReason(thermal_snes,reason,ierr); CHKERRQ(ierr)
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if (reason < 1) then
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--
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2.15.0
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From 1af2e332a1b86f388aa9e481255f4405874d7960 Mon Sep 17 00:00:00 2001
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From: Martin Diehl <m.diehl@mpie.de>
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Date: Sun, 5 Nov 2017 14:18:45 +0100
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Subject: [PATCH 3/3] named better in thermal and damage
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---
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src/spectral_damage.f90 | 4 ++--
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src/spectral_thermal.f90 | 4 ++--
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2 files changed, 4 insertions(+), 4 deletions(-)
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diff --git a/src/spectral_damage.f90 b/src/spectral_damage.f90
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index 2c195c56..11da3b96 100644
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--- a/src/spectral_damage.f90
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+++ b/src/spectral_damage.f90
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@@ -114,8 +114,8 @@ subroutine spectral_damage_init()
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damage_grid,ierr) !< handle, error
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CHKERRQ(ierr)
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call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) !< connect snes to da
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- call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
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- call DMsetUp(da,ierr); CHKERRQ(ierr)
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+ call DMsetFromOptions(damage_grid,ierr); CHKERRQ(ierr)
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+ call DMsetUp(damage_grid,ierr); CHKERRQ(ierr)
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call DMCreateGlobalVector(damage_grid,solution,ierr); CHKERRQ(ierr) !< global solution vector (grid x 1, i.e. every def grad tensor)
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call DMDASNESSetFunctionLocal(damage_grid,INSERT_VALUES,spectral_damage_formResidual,&
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PETSC_NULL_SNES,ierr) !< residual vector of same shape as solution vector
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diff --git a/src/spectral_thermal.f90 b/src/spectral_thermal.f90
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index 7115538c..2374d83b 100644
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--- a/src/spectral_thermal.f90
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+++ b/src/spectral_thermal.f90
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@@ -120,8 +120,8 @@ subroutine spectral_thermal_init
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thermal_grid,ierr) ! handle, error
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CHKERRQ(ierr)
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call SNESsetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
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- call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
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- call DMsetUp(da,ierr); CHKERRQ(ierr)
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+ call DMsetFromOptions(thermal_grid,ierr); CHKERRQ(ierr)
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+ call DMsetUp(thermal_grid,ierr); CHKERRQ(ierr)
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call DMcreateGlobalVector(thermal_grid,solution,ierr); CHKERRQ(ierr) ! global solution vector (grid x 1, i.e. every def grad tensor)
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call DMDASNESsetFunctionLocal(thermal_grid,INSERT_VALUES,spectral_thermal_formResidual,&
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PETSC_NULL_SNES,ierr) ! residual vector of same shape as solution vector
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--
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2.15.0
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