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Merge branch 'MPI-FFTW-fix' into 'development' 

bugfix: prevent segmentation fault

Closes #192

See merge request damask/DAMASK!595
This commit is contained in:
Franz Roters 2022-06-02 16:13:24 +00:00
parent 508680629e dc59beb59c
commit 5155a3f958
4 changed files with 68 additions and 55 deletions
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13
src/grid/FFTW.f90 Normal file
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@ -0,0 +1,13 @@
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, KU Leuven
!> @brief Wrap FFTW3 into a module.
!--------------------------------------------------------------------------------------------------
module FFTW3
use, intrinsic :: ISO_C_binding
implicit none
public
include 'fftw3-mpi.f03'
end module FFTW3

8
src/grid/discretization_grid.f90
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@ -10,6 +10,7 @@ module discretization_grid
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY) #if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
use MPI_f08 use MPI_f08
#endif #endif
use FFTW3
use prec use prec
use parallelization use parallelization
@ -50,7 +51,6 @@ subroutine discretization_grid_init(restart)
logical, intent(in) :: restart logical, intent(in) :: restart
include 'fftw3-mpi.f03'
real(pReal), dimension(3) :: & real(pReal), dimension(3) :: &
mySize, & !< domain size of this process mySize, & !< domain size of this process
origin !< (global) distance to origin origin !< (global) distance to origin
@ -107,10 +107,8 @@ subroutine discretization_grid_init(restart)
if (worldsize>cells(3)) call IO_error(894, ext_msg='number of processes exceeds cells(3)') if (worldsize>cells(3)) call IO_error(894, ext_msg='number of processes exceeds cells(3)')
call fftw_mpi_init call fftw_mpi_init()
devNull = fftw_mpi_local_size_3d(int(cells(3),C_INTPTR_T), & devNull = fftw_mpi_local_size_3d(int(cells(3),C_INTPTR_T),int(cells(2),C_INTPTR_T),int(cells(1)/2+1,C_INTPTR_T), &
int(cells(2),C_INTPTR_T), &
int(cells(1),C_INTPTR_T)/2+1, &
PETSC_COMM_WORLD, & PETSC_COMM_WORLD, &
z, & ! domain cells size along z z, & ! domain cells size along z
z_offset) ! domain cells offset along z z_offset) ! domain cells offset along z

78
src/grid/spectral_utilities.f90
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@ -4,13 +4,12 @@
!> @brief Utilities used by the different spectral solver variants !> @brief Utilities used by the different spectral solver variants
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module spectral_utilities module spectral_utilities
use, intrinsic :: iso_c_binding
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
use PETScSys use PETScSys
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY) #if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
use MPI_f08 use MPI_f08
#endif #endif
use FFTW3
use prec use prec
use CLI use CLI
@ -26,8 +25,6 @@ module spectral_utilities
implicit none implicit none
private private
include 'fftw3-mpi.f03'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! grid related information ! grid related information
real(pReal), protected, public :: wgt !< weighting factor 1/Nelems real(pReal), protected, public :: wgt !< weighting factor 1/Nelems
@ -152,10 +149,9 @@ subroutine spectral_utilities_init()
tensorField, & !< field containing data for FFTW in real and fourier space (in place) tensorField, & !< field containing data for FFTW in real and fourier space (in place)
vectorField, & !< field containing data for FFTW in real space when debugging FFTW (no in place) vectorField, & !< field containing data for FFTW in real space when debugging FFTW (no in place)
scalarField !< field containing data for FFTW in real space when debugging FFTW (no in place) scalarField !< field containing data for FFTW in real space when debugging FFTW (no in place)
integer(C_INTPTR_T), dimension(3) :: gridFFTW integer(C_INTPTR_T), dimension(3) :: cellsFFTW
integer(C_INTPTR_T) :: alloc_local, local_K, local_K_offset integer(C_INTPTR_T) :: N, z, devNull
integer(C_INTPTR_T), parameter :: & integer(C_INTPTR_T), parameter :: &
scalarSize = 1_C_INTPTR_T, &
vectorSize = 3_C_INTPTR_T, & vectorSize = 3_C_INTPTR_T, &
tensorSize = 9_C_INTPTR_T tensorSize = 9_C_INTPTR_T
character(len=*), parameter :: & character(len=*), parameter :: &
@ -261,69 +257,75 @@ subroutine spectral_utilities_init()
print'(/,1x,a)', 'FFTW initialized'; flush(IO_STDOUT) print'(/,1x,a)', 'FFTW initialized'; flush(IO_STDOUT)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! MPI allocation ! allocation
gridFFTW = int(cells,C_INTPTR_T)
alloc_local = fftw_mpi_local_size_3d(gridFFTW(3), gridFFTW(2), gridFFTW(1)/2 +1, &
PETSC_COMM_WORLD, local_K, local_K_offset)
allocate (xi1st (3,cells1Red,cells(2),cells3),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies for first derivatives, only half the size for first dimension allocate (xi1st (3,cells1Red,cells(2),cells3),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies for first derivatives, only half the size for first dimension
allocate (xi2nd (3,cells1Red,cells(2),cells3),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies for second derivatives, only half the size for first dimension allocate (xi2nd (3,cells1Red,cells(2),cells3),source = cmplx(0.0_pReal,0.0_pReal,pReal)) ! frequencies for second derivatives, only half the size for first dimension
tensorField = fftw_alloc_complex(tensorSize*alloc_local) cellsFFTW = int(cells,C_INTPTR_T)
call c_f_pointer(tensorField, tensorField_real, [3_C_INTPTR_T,3_C_INTPTR_T, &
2_C_INTPTR_T*(gridFFTW(1)/2_C_INTPTR_T + 1_C_INTPTR_T),gridFFTW(2),local_K]) ! place a pointer for a real tensor representation
call c_f_pointer(tensorField, tensorField_fourier, [3_C_INTPTR_T,3_C_INTPTR_T, &
gridFFTW(1)/2_C_INTPTR_T + 1_C_INTPTR_T , gridFFTW(2),local_K]) ! place a pointer for a fourier tensor representation
vectorField = fftw_alloc_complex(vectorSize*alloc_local) N = fftw_mpi_local_size_many(3,[cellsFFTW(3),cellsFFTW(2),cellsFFTW(1)/2_C_INTPTR_T+1_C_INTPTR_T],&
call c_f_pointer(vectorField, vectorField_real, [3_C_INTPTR_T,& tensorSize,FFTW_MPI_DEFAULT_BLOCK,PETSC_COMM_WORLD,z,devNull)
2_C_INTPTR_T*(gridFFTW(1)/2_C_INTPTR_T + 1_C_INTPTR_T),gridFFTW(2),local_K]) ! place a pointer for a real vector representation if (z /= cells3) error stop 'domain decomposition mismatch (tensor)'
call c_f_pointer(vectorField, vectorField_fourier,[3_C_INTPTR_T,& tensorField = fftw_alloc_complex(N)
gridFFTW(1)/2_C_INTPTR_T + 1_C_INTPTR_T, gridFFTW(2),local_K]) ! place a pointer for a fourier vector representation call c_f_pointer(tensorField,tensorField_real, &
[3_C_INTPTR_T,3_C_INTPTR_T,2_C_INTPTR_T*(cellsFFTW(1)/2_C_INTPTR_T+1_C_INTPTR_T),cellsFFTW(2),z])
call c_f_pointer(tensorField,tensorField_fourier, &
[3_C_INTPTR_T,3_C_INTPTR_T, cellsFFTW(1)/2_C_INTPTR_T+1_C_INTPTR_T, cellsFFTW(2),z])
scalarField = fftw_alloc_complex(scalarSize*alloc_local) ! allocate data for real representation (no in place transform) N = fftw_mpi_local_size_many(3,[cellsFFTW(3),cellsFFTW(2),cellsFFTW(1)/2_C_INTPTR_T+1_C_INTPTR_T],&
vectorSize,FFTW_MPI_DEFAULT_BLOCK,PETSC_COMM_WORLD,z,devNull)
if (z /= cells3) error stop 'domain decomposition mismatch (vector)'
vectorField = fftw_alloc_complex(N)
call c_f_pointer(vectorField,vectorField_real, &
[3_C_INTPTR_T,2_C_INTPTR_T*(cellsFFTW(1)/2_C_INTPTR_T+1_C_INTPTR_T),cellsFFTW(2),z])
call c_f_pointer(vectorField,vectorField_fourier, &
[3_C_INTPTR_T, cellsFFTW(1)/2_C_INTPTR_T+1_C_INTPTR_T, cellsFFTW(2),z])
N = fftw_mpi_local_size_3d(cellsFFTW(3),cellsFFTW(2),cellsFFTW(1)/2_C_INTPTR_T+1_C_INTPTR_T,&
PETSC_COMM_WORLD,z,devNull)
if (z /= cells3) error stop 'domain decomposition mismatch (scalar)'
scalarField = fftw_alloc_complex(N)
call c_f_pointer(scalarField,scalarField_real, & call c_f_pointer(scalarField,scalarField_real, &
[2_C_INTPTR_T*(gridFFTW(1)/2_C_INTPTR_T + 1),gridFFTW(2),local_K]) ! place a pointer for a real scalar representation [2_C_INTPTR_T*(cellsFFTW(1)/2_C_INTPTR_T+1_C_INTPTR_T),cellsFFTW(2),z])
call c_f_pointer(scalarField,scalarField_fourier, & call c_f_pointer(scalarField,scalarField_fourier, &
[ gridFFTW(1)/2_C_INTPTR_T + 1 ,gridFFTW(2),local_K]) ! place a pointer for a fourier scarlar representation [ cellsFFTW(1)/2_C_INTPTR_T+1_C_INTPTR_T, cellsFFTW(2),z])
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! tensor MPI fftw plans ! tensor MPI fftw plans
planTensorForth = fftw_mpi_plan_many_dft_r2c(3,gridFFTW(3:1:-1),tensorSize, & planTensorForth = fftw_mpi_plan_many_dft_r2c(3,cellsFFTW(3:1:-1),tensorSize, &
FFTW_MPI_DEFAULT_BLOCK,FFTW_MPI_DEFAULT_BLOCK, & FFTW_MPI_DEFAULT_BLOCK,FFTW_MPI_DEFAULT_BLOCK, &
tensorField_real,tensorField_fourier, & tensorField_real,tensorField_fourier, &
PETSC_COMM_WORLD,FFTW_planner_flag) PETSC_COMM_WORLD,FFTW_planner_flag)
if (.not. c_associated(planTensorForth)) error stop 'FFTW error' if (.not. c_associated(planTensorForth)) error stop 'FFTW error r2c tensor'
planTensorBack = fftw_mpi_plan_many_dft_c2r(3,gridFFTW(3:1:-1),tensorSize, & planTensorBack = fftw_mpi_plan_many_dft_c2r(3,cellsFFTW(3:1:-1),tensorSize, &
FFTW_MPI_DEFAULT_BLOCK,FFTW_MPI_DEFAULT_BLOCK, & FFTW_MPI_DEFAULT_BLOCK,FFTW_MPI_DEFAULT_BLOCK, &
tensorField_fourier,tensorField_real, & tensorField_fourier,tensorField_real, &
PETSC_COMM_WORLD,FFTW_planner_flag) PETSC_COMM_WORLD,FFTW_planner_flag)
if (.not. c_associated(planTensorBack)) error stop 'FFTW error' if (.not. c_associated(planTensorBack)) error stop 'FFTW error c2r tensor'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! vector MPI fftw plans ! vector MPI fftw plans
planVectorForth = fftw_mpi_plan_many_dft_r2c(3,gridFFTW(3:1:-1),vectorSize, & planVectorForth = fftw_mpi_plan_many_dft_r2c(3,cellsFFTW(3:1:-1),vectorSize, &
FFTW_MPI_DEFAULT_BLOCK,FFTW_MPI_DEFAULT_BLOCK, & FFTW_MPI_DEFAULT_BLOCK,FFTW_MPI_DEFAULT_BLOCK, &
vectorField_real,vectorField_fourier, & vectorField_real,vectorField_fourier, &
PETSC_COMM_WORLD,FFTW_planner_flag) PETSC_COMM_WORLD,FFTW_planner_flag)
if (.not. c_associated(planVectorForth)) error stop 'FFTW error' if (.not. c_associated(planVectorForth)) error stop 'FFTW error r2c vector'
planVectorBack = fftw_mpi_plan_many_dft_c2r(3,gridFFTW(3:1:-1),vectorSize, & planVectorBack = fftw_mpi_plan_many_dft_c2r(3,cellsFFTW(3:1:-1),vectorSize, &
FFTW_MPI_DEFAULT_BLOCK,FFTW_MPI_DEFAULT_BLOCK, & FFTW_MPI_DEFAULT_BLOCK,FFTW_MPI_DEFAULT_BLOCK, &
vectorField_fourier,vectorField_real, & vectorField_fourier,vectorField_real, &
PETSC_COMM_WORLD,FFTW_planner_flag) PETSC_COMM_WORLD,FFTW_planner_flag)
if (.not. c_associated(planVectorBack)) error stop 'FFTW error' if (.not. c_associated(planVectorBack)) error stop 'FFTW error c2r vector'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! scalar MPI fftw plans ! scalar MPI fftw plans
planScalarForth = fftw_mpi_plan_many_dft_r2c(3,gridFFTW(3:1:-1),scalarSize, & planScalarForth = fftw_mpi_plan_dft_r2c_3d(cellsFFTW(3),cellsFFTW(2),cellsFFTW(1), &
FFTW_MPI_DEFAULT_BLOCK,FFTW_MPI_DEFAULT_BLOCK, &
scalarField_real,scalarField_fourier, & scalarField_real,scalarField_fourier, &
PETSC_COMM_WORLD,FFTW_planner_flag) PETSC_COMM_WORLD,FFTW_planner_flag)
if (.not. c_associated(planScalarForth)) error stop 'FFTW error' if (.not. c_associated(planScalarForth)) error stop 'FFTW error r2c scalar'
planScalarBack = fftw_mpi_plan_many_dft_c2r(3,gridFFTW(3:1:-1),scalarSize, & planScalarBack = fftw_mpi_plan_dft_c2r_3d(cellsFFTW(3),cellsFFTW(2),cellsFFTW(1), &
FFTW_MPI_DEFAULT_BLOCK, FFTW_MPI_DEFAULT_BLOCK, &
scalarField_fourier,scalarField_real, & scalarField_fourier,scalarField_real, &
PETSC_COMM_WORLD,FFTW_planner_flag) PETSC_COMM_WORLD,FFTW_planner_flag)
if (.not. c_associated(planScalarBack)) error stop 'FFTW error' if (.not. c_associated(planScalarBack)) error stop 'FFTW error c2r scalar'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculation of discrete angular frequencies, ordered as in FFTW (wrap around) ! calculation of discrete angular frequencies, ordered as in FFTW (wrap around)

2
src/parallelization.f90
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@ -90,7 +90,7 @@ subroutine parallelization_init
#ifdef LOGFILE #ifdef LOGFILE
write(rank_str,'(i4.4)') worldrank write(rank_str,'(i4.4)') worldrank
open(OUTPUT_UNIT,file='out.'//rank_str,status='replace',encoding='UTF-8') open(OUTPUT_UNIT,file='out.'//rank_str,status='replace',encoding='UTF-8')
open(ERROR_UNIT,file='error.'//rank_str,status='replace',encoding='UTF-8') open(ERROR_UNIT,file='err.'//rank_str,status='replace',encoding='UTF-8')
#else #else
if (worldrank /= 0) then if (worldrank /= 0) then
close(OUTPUT_UNIT) ! disable output close(OUTPUT_UNIT) ! disable output