Merge branch 'MiscImprovements' into 'development'

Misc improvements

See merge request damask/DAMASK!58
This commit is contained in:
Martin Diehl 2019-02-11 12:29:52 +01:00
commit fa1c946d06
5 changed files with 827 additions and 2066 deletions

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@ -445,6 +445,33 @@ elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
# Additional options # Additional options
# -fdefault-integer-8: Use it to set precision to 8 bytes for integer, don't use it for the standard case of pInt=4 (there is no -fdefault-integer-4) # -fdefault-integer-8: Use it to set precision to 8 bytes for integer, don't use it for the standard case of pInt=4 (there is no -fdefault-integer-4)
###################################################################################################
# PGI Compiler
###################################################################################################
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "PGI")
if (OPTIMIZATION STREQUAL "OFF")
set (OPTIMIZATION_FLAGS "-O0" )
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
set (OPTIMIZATION_FLAGS "-O2")
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
set (OPTIMIZATION_FLAGS "-O3")
endif ()
#------------------------------------------------------------------------------------------------
# Fine tuning compilation options
set (COMPILE_FLAGS "${COMPILE_FLAGS} -Mpreprocess")
# preprocessor
set (STANDARD_CHECK "-Mallocatable=03")
#------------------------------------------------------------------------------------------------
# Runtime debugging
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
# Includes debugging information in the object module; sets the optimization level to zero unless a -O option is present on the command line
else () else ()
message (FATAL_ERROR "Compiler type (CMAKE_Fortran_COMPILER_ID) not recognized") message (FATAL_ERROR "Compiler type (CMAKE_Fortran_COMPILER_ID) not recognized")
endif () endif ()

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@ -162,7 +162,6 @@ subroutine utilities_init()
character(len=1024) :: petsc_optionsPhysics character(len=1024) :: petsc_optionsPhysics
integer(pInt) :: dimPlex integer(pInt) :: dimPlex
integer(pInt) :: headerID = 205_pInt
PetscInt, allocatable :: nEntities(:), nOutputCells(:), nOutputNodes(:) PetscInt, allocatable :: nEntities(:), nOutputCells(:), nOutputNodes(:)
PetscInt :: dim PetscInt :: dim
PetscErrorCode :: ierr PetscErrorCode :: ierr
@ -213,13 +212,6 @@ subroutine utilities_init()
nOutputCells(worldrank+1) = count(material_homog > 0_pInt) nOutputCells(worldrank+1) = count(material_homog > 0_pInt)
call MPI_Allreduce(MPI_IN_PLACE,nOutputNodes,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,nOutputNodes,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
call MPI_Allreduce(MPI_IN_PLACE,nOutputCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) call MPI_Allreduce(MPI_IN_PLACE,nOutputCells,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)
if (worldrank == 0_pInt) then
open(unit=headerID, file=trim(getSolverJobName())//'.header', &
form='FORMATTED', status='REPLACE')
write(headerID, '(a,i0)') 'dimension : ', dimPlex
write(headerID, '(a,i0)') 'number of nodes : ', sum(nOutputNodes)
write(headerID, '(a,i0)') 'number of cells : ', sum(nOutputCells)
endif
end subroutine utilities_init end subroutine utilities_init

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@ -1,9 +1,13 @@
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800 #if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
write(6,*) 'Compiled with ', compiler_version() write(6,*) 'Compiled with ', compiler_version()
write(6,*) 'With options ', compiler_options() write(6,*) 'With options ', compiler_options()
#else #elif defined(__INTEL_COMPILER)
write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version ', __INTEL_COMPILER,& write(6,'(a,i4.4,a,i8.8)') ' Compiled with Intel fortran version ', __INTEL_COMPILER,&
', build date ', __INTEL_COMPILER_BUILD_DATE ', build date ', __INTEL_COMPILER_BUILD_DATE
#elif defined(__PGI)
write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version ', __PGIC__,&
'.', __PGIC_MINOR__
#endif #endif
write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__ write(6,*) 'Compiled on ', __DATE__,' at ',__TIME__
write(6,*) write(6,*)

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@ -118,6 +118,9 @@ module math
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
public :: & public :: &
#if defined(__PGI)
norm2, &
#endif
math_init, & math_init, &
math_qsort, & math_qsort, &
math_expand, & math_expand, &
@ -351,20 +354,38 @@ end subroutine math_check
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Quicksort algorithm for two-dimensional integer arrays !> @brief Quicksort algorithm for two-dimensional integer arrays
! Sorting is done with respect to array(1,:) ! Sorting is done with respect to array(sort,:) and keeps array(/=sort,:) linked to it.
! and keeps array(2:N,:) linked to it. ! default: sort=1
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
recursive subroutine math_qsort(a, istart, iend) recursive subroutine math_qsort(a, istart, iend, sortDim)
implicit none implicit none
integer(pInt), dimension(:,:), intent(inout) :: a integer(pInt), dimension(:,:), intent(inout) :: a
integer(pInt), intent(in) :: istart,iend integer(pInt), intent(in),optional :: istart,iend, sortDim
integer(pInt) :: ipivot integer(pInt) :: ipivot,s,e,d
if (istart < iend) then if(present(istart)) then
ipivot = qsort_partition(a,istart, iend) s = istart
call math_qsort(a, istart, ipivot-1_pInt) else
call math_qsort(a, ipivot+1_pInt, iend) s = lbound(a,2)
endif
if(present(iend)) then
e = iend
else
e = ubound(a,2)
endif
if(present(sortDim)) then
d = sortDim
else
d = 1
endif
if (s < e) then
ipivot = qsort_partition(a,s, e, d)
call math_qsort(a, s, ipivot-1_pInt, d)
call math_qsort(a, ipivot+1_pInt, e, d)
endif endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -373,37 +394,34 @@ recursive subroutine math_qsort(a, istart, iend)
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
!> @brief Partitioning required for quicksort !> @brief Partitioning required for quicksort
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
integer(pInt) function qsort_partition(a, istart, iend) integer(pInt) function qsort_partition(a, istart, iend, sort)
implicit none implicit none
integer(pInt), dimension(:,:), intent(inout) :: a integer(pInt), dimension(:,:), intent(inout) :: a
integer(pInt), intent(in) :: istart,iend integer(pInt), intent(in) :: istart,iend,sort
integer(pInt) :: i,j,k,tmp integer(pInt), dimension(size(a,1)) :: tmp
integer(pInt) :: i,j
do do
! find the first element on the right side less than or equal to the pivot point ! find the first element on the right side less than or equal to the pivot point
do j = iend, istart, -1_pInt do j = iend, istart, -1_pInt
if (a(1,j) <= a(1,istart)) exit if (a(sort,j) <= a(sort,istart)) exit
enddo enddo
! find the first element on the left side greater than the pivot point ! find the first element on the left side greater than the pivot point
do i = istart, iend do i = istart, iend
if (a(1,i) > a(1,istart)) exit if (a(sort,i) > a(sort,istart)) exit
enddo
if (i < j) then ! if the indexes do not cross, exchange values
do k = 1_pInt, int(size(a,1_pInt), pInt)
tmp = a(k,i)
a(k,i) = a(k,j)
a(k,j) = tmp
enddo
else ! if they do cross, exchange left value with pivot and return with the partition index
do k = 1_pInt, int(size(a,1_pInt), pInt)
tmp = a(k,istart)
a(k,istart) = a(k,j)
a(k,j) = tmp
enddo enddo
cross: if (i >= j) then ! if the indices cross, exchange left value with pivot and return with the partition index
tmp = a(:,istart)
a(:,istart) = a(:,j)
a(:,j) = tmp
qsort_partition = j qsort_partition = j
return return
endif else cross ! if they do not cross, exchange values
tmp = a(:,i)
a(:,i) = a(:,j)
a(:,j) = tmp
endif cross
enddo enddo
end function qsort_partition end function qsort_partition
@ -2707,4 +2725,19 @@ real(pReal) pure elemental function math_clip(a, left, right)
end function math_clip end function math_clip
#if defined(__PGI)
!--------------------------------------------------------------------------------------------------
!> @brief substitute for the norm2 intrinsic which is not available in PGI 18.10
!--------------------------------------------------------------------------------------------------
real(pReal) pure function norm2(v)
implicit none
real(pReal), intent(in), dimension(3) :: v
norm2 = sqrt(sum(v**2))
end function norm2
#endif
end module math end module math