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DAMASK_EICMD/installation/patch/PETSc3.8

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From 87e307a9c511f3f40598edbd5996297d7804ce62 Mon Sep 17 00:00:00 2001
From: Martin Diehl <m.diehl@mpie.de>
Date: Tue, 21 Nov 2017 15:12:04 +0100
Subject: [PATCH] due to changes in interface of PETSc
---
src/DAMASK_spectral.f90 | 27 +++++---------
src/mesh.f90 | 12 +++---
src/numerics.f90 | 13 +++----
src/spectral_damage.f90 | 39 ++++++--------------
src/spectral_interface.f90 | 31 ++++++++--------
src/spectral_mech_AL.f90 | 46 ++++++++---------------
src/spectral_mech_Basic.f90 | 52 +++++++++-----------------
src/spectral_mech_Polarisation.f90 | 52 ++++++++++----------------
src/spectral_thermal.f90 | 75 ++++++++++++++++++--------------------
src/spectral_utilities.f90 | 34 ++++++-----------
10 files changed, 146 insertions(+), 235 deletions(-)
diff --git a/src/DAMASK_spectral.f90 b/src/DAMASK_spectral.f90
index f32bfb7b..c315b1b8 100644
--- a/src/DAMASK_spectral.f90
+++ b/src/DAMASK_spectral.f90
@@ -12,6 +12,8 @@ program DAMASK_spectral
compiler_version, &
compiler_options
#endif
+#include <petsc/finclude/petscsys.h>
+ use PETSC
use prec, only: &
pInt, &
pLongInt, &
@@ -85,11 +87,8 @@ program DAMASK_spectral
use spectral_damage
use spectral_thermal
-
implicit none
-#include <petsc/finclude/petscsys.h>
-
!--------------------------------------------------------------------------------------------------
! variables related to information from load case and geom file
real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
@@ -144,18 +143,11 @@ program DAMASK_spectral
integer(pInt), parameter :: maxByteOut = 2147483647-4096 !< limit of one file output write https://trac.mpich.org/projects/mpich/ticket/1742
integer(pInt), parameter :: maxRealOut = maxByteOut/pReal
integer(pLongInt), dimension(2) :: outputIndex
- PetscErrorCode :: ierr
+ integer :: ierr
+
external :: &
- quit, &
- MPI_file_open, &
- MPI_file_close, &
- MPI_file_seek, &
- MPI_file_get_position, &
- MPI_file_write, &
- MPI_abort, &
- MPI_finalize, &
- MPI_allreduce, &
- PETScFinalize
+ quit
+
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
@@ -448,7 +440,7 @@ program DAMASK_spectral
call MPI_file_write(resUnit, &
reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)), &
[(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
- (outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt), &
+ int(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults, &
MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_write')
enddo
@@ -636,8 +628,7 @@ program DAMASK_spectral
notConvergedCounter = notConvergedCounter + 1_pInt
endif; flush(6)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
- if (worldrank == 0) &
- write(6,'(1/,a)') ' ... writing results to file ......................................'
+ write(6,'(1/,a)') ' ... writing results to file ......................................'
call materialpoint_postResults()
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_seek')
@@ -646,7 +637,7 @@ program DAMASK_spectral
min(i*((maxRealOut)/materialpoint_sizeResults),size(materialpoint_results,3))],pLongInt)
call MPI_file_write(resUnit,reshape(materialpoint_results(:,:,outputIndex(1):outputIndex(2)),&
[(outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt)]), &
- (outputIndex(2)-outputIndex(1)+1)*int(materialpoint_sizeResults,pLongInt),&
+ int(outputIndex(2)-outputIndex(1)+1)*materialpoint_sizeResults,&
MPI_DOUBLE, MPI_STATUS_IGNORE, ierr)
if(ierr /=0_pInt) call IO_error(894_pInt, ext_msg='MPI_file_write')
enddo
diff --git a/src/mesh.f90 b/src/mesh.f90
index 666fe1e3..a314c22c 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
@@ -518,8 +518,6 @@ subroutine mesh_init(ip,el)
integer(pInt), intent(in) :: el, ip
integer(pInt) :: j
logical :: myDebug
-
- external :: MPI_comm_size
write(6,'(/,a)') ' <<<+- mesh init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
diff --git a/src/numerics.f90 b/src/numerics.f90
index 70c7f3c3..e7d54893 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..11da3b96 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
@@ -124,9 +114,11 @@ subroutine spectral_damage_init()
damage_grid,ierr) !< handle, error
CHKERRQ(ierr)
call SNESSetDM(damage_snes,damage_grid,ierr); CHKERRQ(ierr) !< connect snes to da
+ call DMsetFromOptions(damage_grid,ierr); CHKERRQ(ierr)
+ call DMsetUp(damage_grid,ierr); CHKERRQ(ierr)
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 +206,7 @@ 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_VEC,solution,ierr); CHKERRQ(ierr)
call SNESGetConvergedReason(damage_snes,reason,ierr); CHKERRQ(ierr)
if (reason < 1) then
@@ -360,9 +352,6 @@ 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 +394,6 @@ 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..dc221f6c 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"
@@ -165,10 +160,12 @@ subroutine AL_init
da,ierr) ! handle, error
CHKERRQ(ierr)
call SNESSetDM(snes,da,ierr); CHKERRQ(ierr)
+ call DMsetFromOptions(da,ierr); CHKERRQ(ierr)
+ call DMsetUp(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 +277,7 @@ type(tSolutionState) function &
SNESConvergedReason :: reason
external :: &
- SNESSolve, &
- SNESGetConvergedReason
+ SNESsolve
incInfo = incInfoIn
@@ -304,8 +300,7 @@ type(tSolutionState) function &
!--------------------------------------------------------------------------------------------------
! solve BVP
- call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
- CHKERRQ(ierr)
+ call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! check convergence
@@ -383,10 +378,6 @@ 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 +688,6 @@ 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 55403ee7..fe9eb493 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"
@@ -152,19 +146,20 @@ 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 DMsetFromOptions(da,ierr); CHKERRQ(ierr)
+ call DMsetUp(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
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
-
restart: if (restartInc > 1_pInt) then
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
@@ -253,8 +248,7 @@ type(tSolutionState) function &
SNESConvergedReason :: reason
external :: &
- SNESSolve, &
- SNESGetConvergedReason
+ SNESsolve
incInfo = incInfoIn
@@ -274,8 +268,7 @@ type(tSolutionState) function &
!--------------------------------------------------------------------------------------------------
! solve BVP
- call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
- CHKERRQ(ierr)
+ call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! check convergence
@@ -336,10 +329,6 @@ 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)
@@ -555,11 +544,6 @@ 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..3b024f56 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 +159,15 @@ 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 DMsetFromOptions(da,ierr); CHKERRQ(ierr)
+ call DMsetUp(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 +277,7 @@ type(tSolutionState) function &
SNESConvergedReason :: reason
external :: &
- SNESSolve, &
- SNESGetConvergedReason
+ SNESsolve
incInfo = incInfoIn
@@ -304,8 +300,7 @@ type(tSolutionState) function &
!--------------------------------------------------------------------------------------------------
! solve BVP
- call SNESSolve(snes,PETSC_NULL_OBJECT,solution_vec,ierr)
- CHKERRQ(ierr)
+ call SNESsolve(snes,PETSC_NULL_VEC,solution_vec,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! check convergence
@@ -383,10 +378,6 @@ 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 +689,6 @@ 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..2374d83b 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
@@ -124,16 +119,18 @@ subroutine spectral_thermal_init
grid (1),grid(2),localK, & ! local grid
thermal_grid,ierr) ! handle, error
CHKERRQ(ierr)
- 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
+ call SNESsetDM(thermal_snes,thermal_grid,ierr); CHKERRQ(ierr) ! connect snes to da
+ call DMsetFromOptions(thermal_grid,ierr); CHKERRQ(ierr)
+ call DMsetUp(thermal_grid,ierr); CHKERRQ(ierr)
+ 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_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
+ call SNESsetFromOptions(thermal_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
!--------------------------------------------------------------------------------------------------
! init fields
- call DMDAGetCorners(thermal_grid,xstart,ystart,zstart,xend,yend,zend,ierr)
+ call DMDAgetCorners(thermal_grid,xstart,ystart,zstart,xend,yend,zend,ierr)
CHKERRQ(ierr)
xend = xstart + xend - 1
yend = ystart + yend - 1
@@ -149,9 +146,9 @@ subroutine spectral_thermal_init
temperature_lastInc(i,j,k) = temperature_current(i,j,k)
temperature_stagInc(i,j,k) = temperature_current(i,j,k)
enddo; enddo; enddo
- call DMDAVecGetArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
+ call DMDAvecGetArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr) !< get the data out of PETSc to work with
x_scal(xstart:xend,ystart:yend,zstart:zend) = temperature_current
- call DMDAVecRestoreArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr)
+ call DMDAvecRestoreArrayF90(thermal_grid,solution,x_scal,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! thermal reference diffusion update
@@ -205,8 +202,8 @@ type(tSolutionState) function spectral_thermal_solution(timeinc,timeinc_old,load
external :: &
VecMin, &
VecMax, &
- SNESSolve, &
- SNESGetConvergedReason
+ SNESsolve, &
+ SNESgetConvergedReason
spectral_thermal_solution%converged =.false.
@@ -215,7 +212,7 @@ 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_VEC,solution,ierr); CHKERRQ(ierr)
call SNESGetConvergedReason(thermal_snes,reason,ierr); CHKERRQ(ierr)
if (reason < 1) then
@@ -245,14 +242,12 @@ 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 1bbf2e60..52bb07fd 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()
integer(pInt) :: i, j, k, ierr
complex(pReal), dimension(3) :: rescaledGeom
- external :: &
- MPI_Allreduce
-
write(6,'(/,a)') ' ... calculating divergence ................................................'
flush(6)
@@ -686,9 +682,6 @@ real(pReal) function utilities_curlRMS()
complex(pReal), dimension(3,3) :: curl_fourier
complex(pReal), dimension(3) :: rescaledGeom
- external :: &
- MPI_Allreduce
-
write(6,'(/,a)') ' ... calculating curl ......................................................'
flush(6)
@@ -1099,9 +1092,6 @@ function utilities_forwardField(timeinc,field_lastInc,rate,aim)
real(pReal), dimension(3,3) :: fieldDiff !< <a + adot*t> - aim
PetscErrorCode :: ierr
- external :: &
- MPI_Allreduce
-
utilities_forwardField = field_lastInc + rate*timeinc
if (present(aim)) then !< correct to match average
fieldDiff = sum(sum(sum(utilities_forwardField,dim=5),dim=4),dim=3)*wgt
@@ -1193,8 +1183,6 @@ subroutine utilities_updateIPcoords(F)
integer(pInt) :: i, j, k, m, ierr
real(pReal), dimension(3) :: step, offset_coords
real(pReal), dimension(3,3) :: Favg
- external &
- MPI_Bcast
!--------------------------------------------------------------------------------------------------
! integration in Fourier space
--
2.15.0
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