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MatrixUtils.f90
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MatrixUtils.f90
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!Matrix utility routines. Uses BLAS/LAPACK. Mostly wrapper routines.
!Generally (but not always) assumes that all matrix arrays are defined at exactly correct size
!Not complete
!Antony Lewis May 2003-2014
!http:https://cosmologist.info/utils/
module MatrixUtils
use MpiUtils
use FileUtils
use StringUtils
implicit none
logical, parameter :: Matrix_runmsgs = .false.
#ifdef MATRIX_SINGLE
integer, parameter :: dm = KIND(1.0)
#else
integer, parameter :: dm = KIND(1.d0)
#endif
!Precision of matrix operators
!If changing also need to change prefix on LAPACK routine names
integer, parameter :: Mat_F90=1, Mat_Norm=2, Mat_DC =3 !Normal, basic BLAS/LAPACK or divide and conquer
integer, parameter :: matrix_method = mat_DC
real Matrix_StartTime
Type TMatrixType
real(dm), dimension(:,:), pointer :: M
end Type TMatrixType
complex(dm), parameter :: COne = (1._dm,0._dm), CZero = (0._dm,0._dm)
real(dm), parameter :: ROne = 1._dm, RZero = 0._dm
real, parameter :: SOne = 1., SZero = 0.
character(LEN=*), parameter :: Matrix_IO_fmt= '(*(1E17.7))'
contains
function GetMatrixTime()
real GetMatrixTime
real atime
call cpu_time(atime)
GetMatrixTime = atime
end function GetMatrixTime
subroutine Matrix_start(Name)
character(LEN=*), intent(in) :: Name
if (Matrix_runmsgs) then
Matrix_StartTime = GetMatrixTime()
Write(*,*) 'Matrix_'//trim(Name) //' start'
end if
end subroutine Matrix_start
subroutine Matrix_end(Name)
character(LEN=*), intent(in) :: Name
if (Matrix_runmsgs) then
Write(*,*) 'Matrix_'//trim(Name) //' end: ', GetMatrixTime() - Matrix_StartTime
end if
end subroutine Matrix_end
subroutine Matrix_WriteFileRow(aunit, vec,n)
integer, intent(in) :: aunit
integer, intent(in) :: n
real(dm) :: vec(n)
write (aunit, Matrix_IO_fmt) vec(1:n)
end subroutine Matrix_WriteFileRow
subroutine Matrix_Write(aname, mat, forcetable, commentline)
character(LEN=*), intent(in) :: aname
character(LEN=*), intent(in), optional :: commentline
real(dm), intent(in) :: mat(:,:)
logical, intent(in), optional :: forcetable
integer i,k
integer shp(2)
logical WriteTab
Type(TTextFile) :: F
shp = shape(mat)
WriteTab = shp(2)<=50
if (present(forcetable)) then
if (forcetable) WriteTab = .true.
end if
call F%CreateFile(aname)
if (present(commentline)) then
call F%Write('#'//commentline)
end if
do i=1, shp(1)
if (.not. WriteTab) then
do k=1, shp(2)
call F%Write(mat(i,k))
end do
else
write(F%unit,F%RealFormat) mat(i,1:shp(2))
!workaround for ifort 14 bug
!call F%Write(mat(i,1:shp(2)))
end if
end do
call F%Close()
end subroutine Matrix_Write
subroutine Matrix_Write_double(aname, mat, forcetable)
character(LEN=*), intent(in) :: aname
double precision, intent(in) :: mat(:,:)
logical, intent(in), optional :: forcetable
integer i,k
integer shp(2)
logical WriteTab
Type(TTextFile) F
shp = shape(mat)
WriteTab = shp(2)<=50
if (present(forcetable)) then
if (forcetable) WriteTab = .true.
end if
call F%CreateFile(aname)
do i=1, shp(1)
if (.not. WriteTab) then
do k=1, shp(2)
call F%Write(mat(i,k))
end do
else
call F%Write(mat(i,1:shp(2)))
end if
end do
call F%Close()
end subroutine Matrix_Write_double
subroutine Matrix_Write_Binary(aname, mat)
character(LEN=*), intent(in) :: aname
real(dm), intent(in) :: mat(:,:)
Type(TBinaryFile) F
call F%CreateFile(aname)
Write(F%unit) mat
call F%Close()
end subroutine Matrix_Write_Binary
subroutine MatrixSym_Write_Binary(aname, mat)
character(LEN=*), intent(in) :: aname
real(dm), intent(in) :: mat(:,:)
integer i
integer shp(2)
Type(TBinaryFile) F
shp = shape(mat)
if (shp(1) /= shp(2)) call MpiStop('MatrixSym_Write_Binary: Not square matrix')
if (shp(1) == 0) return
call F%CreateFile(aname)
do i=1,shp(1)
write(F%unit) mat(i:shp(2),i)
end do
call F%Close()
end subroutine MatrixSym_Write_Binary
subroutine MatrixSym_Write_Binary_Single(aname, mat)
character(LEN=*), intent(in) :: aname
real(dm), intent(in) :: mat(:,:)
integer i
integer shp(2)
Type(TBinaryFile) F
shp = shape(mat)
if (shp(1) /= shp(2)) call MpiStop('MatrixSym_Write_Binary_Single: Not square matrix')
if (shp(1) == 0) return
call F%CreateFile(aname)
do i=1,shp(1)
write(F%unit) real(mat(i:shp(2),i), kind(1.0))
end do
call F%Close()
end subroutine MatrixSym_Write_Binary_Single
subroutine Matrix_WriteVec(aname, vec)
character(LEN=*), intent(in) :: aname
real(dm), intent(in) :: vec(:)
integer i
Type(TTextFile) F
call F%CreateFile(aname)
do i=1, size(vec)
call F%Write(vec(i))
end do
call F%Close()
end subroutine Matrix_WriteVec
subroutine Matrix_Read_Binary(aname, mat)
character(LEN=*), intent(in) :: aname
real(dm), intent(out) :: mat(:,:)
Type(TBinaryFile) F
call F%Open(aname)
read (F%unit) mat
call F%Close()
end subroutine Matrix_Read_Binary
subroutine MatrixSym_Read_Binary(aname, mat)
character(LEN=*), intent(in) :: aname
real(dm), intent(out) :: mat(:,:)
integer i
integer shp(2)
Type(TBinaryFile) F
shp = shape(mat)
if (shp(1) /= shp(2)) call MpiStop( 'MatrixSym_Read_Binary: Not square matrix')
if (shp(1) == 0) return
call F%Open(aname)
do i=1,shp(1)
read (F%unit) mat(i:shp(1),i)
mat(i,i:shp(1)) = mat(i:shp(1),i)
end do
call F%Close()
end subroutine MatrixSym_Read_Binary
subroutine MatrixSym_Read_Binary_Single(aname, mat)
character(LEN=*), intent(in) :: aname
real, intent(out) :: mat(:,:)
integer i
integer shp(2)
Type(TBinaryFile) F
shp = shape(mat)
if (shp(1) /= shp(2)) call MpiStop( 'MatrixSym_Read_Binary: Not square matrix')
if (shp(1) == 0) return
call F%Open(aname)
do i=1,shp(1)
read (F%unit) mat(i:shp(1),i)
mat(i,i:shp(1)) = mat(i:shp(1),i)
end do
call F%Close()
end subroutine MatrixSym_Read_Binary_Single
subroutine Matrix_Read(aname, mat)
character(LEN=*), intent(IN) :: aname
real(dm), intent(out) :: mat(:,:)
integer j,k
integer shp(2)
real(dm) tmp
Type(TTextFile) :: F
shp = shape(mat)
call F%Open(aname)
do j=1,shp(1)
read (F%unit,*, end = 200, err=100) mat(j,1:shp(2))
end do
goto 120
100 rewind(F%unit) !Try other possible format
do j=1,shp(1)
do k=1,shp(2)
read (F%unit,*, end = 200) mat(j,k)
end do
end do
120 read (F%unit,*, err = 150, end =150) tmp
goto 200
150 call F%Close()
return
200 call MpiStop('Matrix_Read: file '//trim(aname)//' is the wrong size')
end subroutine Matrix_Read
subroutine Matrix_ReadSingle(aname, mat)
character(LEN=*), intent(IN) :: aname
real, intent(out) :: mat(:,:)
integer j,k
integer shp(2)
real tmp
Type(TTextFile) :: F
shp = shape(mat)
call F%Open(aname)
do j=1,shp(1)
read (F%unit,*, end = 200, err=100) mat(j,1:shp(2))
end do
goto 120
100 rewind(F%unit) !Try other possible format
do j=1,shp(1)
do k=1,shp(2)
read (F%unit,*, end = 200) mat(j,k)
end do
end do
120 read (F%unit,*, err = 150, end =150) tmp
goto 200
150 call F%Close()
return
200 call MpiStop('Matrix_Read:Single file '//trim(aname)//' is the wrong size')
end subroutine Matrix_ReadSingle
function Matrix_Diag(M, n)
integer, intent(in) :: n
real(dm), intent(in) :: M(:,:)
real(dm) Matrix_Diag(n)
integer i
do i=1,n
Matrix_Diag(i) = M(i,i)
end do
end function Matrix_Diag
function ILAENV_wrap(i,S1,S2,a,b,c,d)
integer ILAENV_wrap
integer, intent(in) :: i,a,b,c,d
character(LEN=*), intent(in) :: S1, S2
integer, external :: ILAENV
!If you don't have ILAENV in math library, change routine to return some positive integer
!that is a guess at the blocksize
#ifdef MATRIX_SINGLE
ILAENV_wrap = 16
#else
ILAENV_wrap = ILAENV(i,S1,S2,a,b,c,d)
#endif
!!!IFC
end function ILAENV_wrap
subroutine Matrix_Diagonalize(M, diag, n)
!Does m = U diag U^T, returning U in M
integer, intent(in) :: n
real(dm), intent(inout):: m(n,n)
real(dm), intent(out) :: diag(n)
integer ierr, tmpsize
real(dm), allocatable, dimension(:) :: tmp
call Matrix_Start('Diagonalize')
#ifdef MATRIX_SINGLE
tmpsize = max( (ILAENV_wrap(1,'SSYTRD','U',n,n,n,n)+2)*N,max(1,3*n-1)) !3*n**2
allocate(tmp(tmpsize));
call SSYEV('V','U',n,m,n,diag,tmp,tmpsize,ierr) !evalues and vectors of symmetric matrix
#else
tmpsize = max( (ILAENV_wrap(1,'DSYTRD','U',n,n,n,n)+2)*N,max(1,3*n-1)) !3*n**2
allocate(tmp(tmpsize));
call DSYEV('V','U',n,m,n,diag,tmp,tmpsize,ierr) !evalues and vectors of symmetric matrix
#endif
if (ierr /= 0) call MpiStop('Error in Matrix_Diagonalize')
deallocate(tmp)
call Matrix_End('Diagonalize')
end subroutine Matrix_Diagonalize
subroutine Matrix_Diagonalize_DC(M, diag, n)
!Complex version. Does m = U diag U^dag, returning U in M
integer, intent(in) :: n
real(dm), intent(inout):: m(n,n)
real(dm), intent(out) :: diag(n)
integer ierr, tmpsize ,isize
real(dm), allocatable, dimension(:) :: tmp
integer, allocatable,dimension(:):: iwork
call Matrix_Start('Diagonalize')
if (matrix_method == Mat_DC) then
!Divide and conquer
tmpsize = 1 + 6*N + 2*N**2
isize = 3+5*N
allocate(tmp(tmpsize))
allocate(iwork(isize))
#ifdef MATRIX_SINGLE
call SSYEVD('V','U',n,M,n,diag,tmp,tmpsize,iwork,isize,ierr) !evalues and vectors of hermitian matrix
#else
call DSYEVD('V','U',n,M,n,diag,tmp,tmpsize,iwork,isize,ierr) !evalues and vectors of hermitian matrix
#endif
deallocate(iwork)
deallocate(tmp)
else
call Matrix_Diagonalize(M, diag, n)
end if
if (ierr /= 0) call MpiStop('Error in Matrix_Diagonalize')
call Matrix_End('Diagonalize')
end subroutine Matrix_Diagonalize_DC
subroutine Matrix_Root(M, n, pow)
!Does M**pow for symmetric M using U D**pow U^T
!Not optimized for large matrices
integer, intent(in) :: n
real(dm), intent(inout):: M(n,n)
real(dm) :: Tmp(n,n)
real(dm), intent(in) :: pow
real(dm) :: diag(n)
integer i
call Matrix_Diagonalize(M, diag, n)
Tmp = M
diag = diag**pow
do i = 1, n
M(:,i) = M(:,i)*diag(i)
end do
M = matmul(M,transpose(Tmp))
end subroutine Matrix_Root
subroutine Matrix_Diagonalize_Partial(M, diag, n, emin,emax, nfound)
!Real version. Does m = U diag U^dag, returning U in M
!Assumes up to nfound values will be found. nfound set to true value on exit
integer, intent(in) :: n
real(dm), intent(inout):: m(:,:)
real(dm), intent(out) :: diag(:)
real(dm), intent(in) :: emin,emax
integer, intent(inout) :: nfound
integer ierr, worksize, LIWork
real(dm), allocatable, dimension(:) :: work
real(dm), allocatable, dimension(:,:) :: tmp
integer, allocatable,dimension(:):: supp,iwork
real(dm) wsize(1)
real(dm) atol
integer ISize(1)
atol = 1d-9
call Matrix_Start('Matrix_Diagonalize_Partial')
allocate(tmp(n,nfound))
allocate(Supp(n))
!Query
WorkSize = -1
LIWork = -1
#ifdef MATRIX_SINGLE
call SSYEVR('V','V','U',n,M,Size(M,DIM=1),emin,emax,0,0,atol,nfound,diag,tmp,Size(TMP,DIM=1),&
Supp,WSize,WorkSize,ISize,LIWork,ierr )
#else
call DSYEVR('V','V','U',n,M,Size(M,DIM=1),emin,emax,0,0,atol,nfound,diag,tmp,Size(TMP,DIM=1),&
Supp,WSize,WorkSize,ISize,LIWork,ierr )
#endif
WorkSize = Real(WSize(1))
LIWork = ISize(1)
allocate(Work(WorkSize),IWork(LIWork))
#ifdef MATRIX_SINGLE
call SSYEVR('V','V','U',n,M,Size(M,DIM=1),emin,emax,0,0,atol,nfound,diag,tmp,Size(TMP,DIM=1),&
Supp,Work,WorkSize,IWork,LIWork,ierr )
#else
call DSYEVR('V','V','U',n,M,Size(M,DIM=1),emin,emax,0,0,atol,nfound,diag,tmp,Size(TMP,DIM=1),&
Supp,Work,WorkSize,IWork,LIWork,ierr )
#endif
deallocate(Supp,Work,IWork)
if (ierr /= 0) call MpiStop('Matrix_Diagonalize_Partial: Error')
M(1:n,1:nfound) = tmp(1:n,1:nfound) !nfound now different
deallocate(tmp)
call Matrix_End('Matrix_Diagonalize_Partial')
end subroutine Matrix_Diagonalize_Partial
subroutine Matrix_CDiagonalize_Partial(M, diag, n, emin,emax, nfound)
!Complex version. Does m = U diag U^dag, returning U in M
!Assumes up to nfound values will be found. nfound set to true value on exit
integer, intent(in) :: n
complex(dm), intent(inout):: m(:,:)
real(dm), intent(out) :: diag(:)
real(dm), intent(in) :: emin,emax
integer, intent(inout) :: nfound
integer ierr, worksize, LRWork, LIWork
real(dm), allocatable, dimension(:) :: Rwork
complex(dm), allocatable, dimension(:) :: work
complex(dm), allocatable, dimension(:,:) :: tmp
integer, allocatable,dimension(:):: supp,iwork
complex(dm) wsize(1)
real(dm) Rsize(1), atol
integer ISize(1)
atol = 1d-9
call Matrix_Start('Matrix_CDiagonalize_Partial')
allocate(tmp(n,nfound))
allocate(Supp(n))
!Query
WorkSize = -1
LRWork = -1
LIWork = -1
#ifdef MATRIX_SINGLE
call CHEEVR('V','V','U',n,M,Size(M,DIM=1),emin,emax,0,0,atol,nfound,diag,tmp,Size(TMP,DIM=1),&
Supp,WSize,WorkSize,RSize,LRWork,ISize,LIWork,ierr )
#else
call ZHEEVR('V','V','U',n,M,Size(M,DIM=1),emin,emax,0,0,atol,nfound,diag,tmp,Size(TMP,DIM=1),&
Supp,WSize,WorkSize,RSize,LRWork,ISize,LIWork,ierr )
#endif
WorkSize = Real(WSize(1))
LRWork = RSize(1)
LIWork = ISize(1)
allocate(Work(WorkSize),RWork(LRWork),IWork(LIWork))
#ifdef MATRIX_SINGLE
call CHEEVR('V','V','U',n,M,Size(M,DIM=1),emin,emax,0,0,atol,nfound,diag,tmp,Size(TMP,DIM=1),&
Supp,Work,WorkSize,RWork,LRWork,IWork,LIWork,ierr )
#else
call ZHEEVR('V','V','U',n,M,Size(M,DIM=1),emin,emax,0,0,atol,nfound,diag,tmp,Size(TMP,DIM=1),&
Supp,Work,WorkSize,RWork,LRWork,IWork,LIWork,ierr )
#endif
deallocate(Supp,Work,RWork,IWork)
if (ierr /= 0) call MpiStop('Matrix_CDiagonalize_Partial: Error')
M(1:n,1:nfound) = tmp(1:n,1:nfound) !nfound now different
deallocate(tmp)
call Matrix_End('Matrix_CDiagonalize_Partial')
end subroutine
subroutine Matrix_CDiagonalize(M, diag, n)
!Complex version. Does m = U diag U^dag, returning U in M
integer, intent(in) :: n
complex(dm), intent(inout):: m(n,n)
real(dm), intent(out) :: diag(n)
integer ierr, tmpsize ,isize, rworksize
real(dm), allocatable, dimension(:) :: Rwork
complex(dm), allocatable, dimension(:) :: tmp
integer, allocatable,dimension(:):: iwork
call Matrix_Start('CDiagonalize')
if (matrix_method == Mat_DC) then
!Divide and conquer
tmpsize = 2*N + N**2
rworksize = 1 + 4*N + 2*N*int(log(real(N))/log(2.)+1) + 3*N**2
isize = (2 + 5*N)*4
allocate(tmp(tmpsize),rwork(rworksize))
allocate(iwork(isize))
#ifdef MATRIX_SINGLE
call CHEEVD('V','U',n,M,n,diag,tmp,tmpsize,Rwork,rworksize,iwork,isize,ierr) !evalues and vectors of hermitian matrix
#else
call ZHEEVD('V','U',n,M,n,diag,tmp,tmpsize,Rwork,rworksize,iwork,isize,ierr) !evalues and vectors of hermitian matrix
#endif
deallocate(iwork)
else
rworksize = max(1, 3*n-2)
#ifdef MATRIX_SINGLE
tmpsize = max( (ILAENV_wrap(1,'CHETRD','U',n,n,n,n)+1)*N,max(1,2*n-1)) ! 3*n**2
allocate(tmp(tmpsize),rwork(rworksize));
call CHEEV('V','U',n,m,n,diag,tmp,tmpsize,Rwork,ierr) !evalues and vectors of hermitian matrix
#else
tmpsize = max( (ILAENV_wrap(1,'ZHETRD','U',n,n,n,n)+1)*N,max(1,2*n-1)) ! 3*n**2
allocate(tmp(tmpsize),rwork(rworksize));
call ZHEEV('V','U',n,m,n,diag,tmp,tmpsize,Rwork,ierr) !evalues and vectors of hermitian matrix
#endif
end if
if (ierr /= 0) call MpiStop('Error in Matrix_CDiagonalize')
deallocate(tmp,rwork)
call Matrix_End('CDiagonalize')
end subroutine Matrix_CDiagonalize
function Matrix_CTrace(M)
complex(dm), intent(in) :: M(:,:)
complex(dm) tmp,Matrix_CTrace
integer i
if (size(M,dim=1) /= size(M,dim=2)) call MpiStop('Matrix_CTrace: non-square matrix')
tmp =0
do i=1,size(M,dim=1)
tmp = tmp + M(i,i)
end do
Matrix_CTrace = tmp
end function Matrix_CTrace
function Matrix_Trace(M)
real(dm), intent(in) :: M(:,:)
real(dm) tmp,Matrix_Trace
integer i
if (size(M,dim=1) /= size(M,dim=2)) call mpiStop('Matrix_Trace: non-square matrix')
tmp =0
do i=1,size(M,dim=1)
tmp = tmp + M(i,i)
end do
Matrix_Trace = tmp
end function Matrix_Trace
function MatrixSym_LogDet(mat) result (logDet)
real(dm), intent(in) :: mat(:,:)
real(dm) logDet
real(dm) Tmp(size(mat,dim=1),size(mat,dim=1))
integer i
if (size(mat,dim=1) /= size(mat,dim=2)) call mpiStop('MatrixSym_LogDet: non-square matrix')
Tmp = mat
call Matrix_Cholesky(tmp)
logDet =0
do i=1, size(mat,dim=1)
logDet = logDet + log(tmp(i,i))
end do
logDet = 2._dm*logDet
end function MatrixSym_LogDet
subroutine Matrix_CRotateSymm(Mat,U,m,Out,triangular)
!Gets U^dag Mat U
integer, intent(in) ::m
complex(dm), intent(in) :: Mat(:,:),U(:,:)
complex(dm) Out(:,:)
complex(dm), dimension(:,:), allocatable :: C
integer n
logical, intent(in), optional :: triangular
logical :: triang
call Matrix_Start('CRotateSymm')
if (present(triangular)) then
triang=triangular
else
triang=.false.
end if
n = Size(Mat,DIM=1)
if (n /= Size(Mat,DIM=2)) call mpiStop('Matrix_CRotateSymm: Need square matrix')
if (n /= Size(U,DIM=1)) call MpiStop('Matrix_CRotateSymm: Matrix size mismatch')
if (Size(Out,DIM=1) < m .or. Size(Out,DIM=2) < m) &
call MpiStop('Matrix_CRotateSymm: Wrong output size')
if (matrix_method == Mat_F90) then
Out = matmul(matmul(transpose(conjg(U(1:n,1:m))),Mat),U(1:n,1:m))
else
#ifdef MATRIX_SINGLE
if (triang) then
if (m/=n) call MpiStop('Matrix_CRotateSymm: Matrices must be same size')
call CHEMM('L','U',n,n,COne,Mat,Size(Mat,DIM=1),U,Size(U,DIM=1),CZero,Out,Size(Out,Dim=1))
call CTRMM('Left','Upper','Complex-Transpose','Not-unit',n,n,COne,U,Size(U,DIM=1),Out,Size(Out,Dim=1))
else
allocate(C(n,m))
call CHEMM('L','U',n,m,COne,Mat,Size(Mat,DIM=1),U,Size(U,DIM=1),CZero,C,n)
call CGEMM('C','N',m,m,n,COne,U,Size(U,DIM=1),C,n,CZero,Out,Size(Out,Dim=1))
deallocate(C)
end if
#else
if (triang) then
if (m/=n) call MpiStop('Matrix_CRotateSymm: Matrices must be same size')
call ZHEMM('L','U',n,n,COne,Mat,Size(Mat,DIM=1),U,Size(U,DIM=1),CZero,Out,Size(Out,Dim=1))
call ZTRMM('Left','Upper','Complex-Transpose','Not-unit',n,n,COne,U,Size(U,DIM=1),Out,Size(Out,Dim=1))
else
allocate(C(n,m))
call ZHEMM('L','U',n,m,COne,Mat,Size(Mat,DIM=1),U,Size(U,DIM=1),CZero,C,n)
call ZGEMM('C','N',m,m,n,COne,U,Size(U,DIM=1),C,n,CZero,Out,Size(Out,Dim=1))
deallocate(C)
end if
#endif
end if
call Matrix_End('CRotateSymm')
end subroutine Matrix_CRotateSymm
subroutine Matrix_RotateSymm(Mat,U,m,Out, triangular)
!Gets U^T Mat U
!If triangular U = Upper triangular (U^T lower triangular)
integer, intent(in) ::m
real(dm), intent(in) :: Mat(:,:),U(:,:)
real(dm) Out(:,:)
real(dm), dimension(:,:), allocatable :: C
logical, intent(in), optional :: triangular
logical triang
integer n
call Matrix_Start('RotateSymm')
if (present(triangular)) then
triang=triangular
else
triang=.false.
end if
n = Size(Mat,DIM=1)
if (n /= Size(Mat,DIM=2)) call MpiStop('Matrix_RotateSymm: Need square matrix')
if (n /= Size(U,DIM=1)) call MpiStop('Matrix_RotateSymm: Matrix size mismatch')
if (Size(Out,DIM=1) < m .or. Size(Out,DIM=2) < m) &
call MpiStop('Matrix_RotateSymm: Wrong output size')
if (matrix_method == Mat_F90) then
Out = matmul(matmul(transpose(U(1:n,1:m)),Mat),U(1:n,1:m))
else
#ifdef MATRIX_SINGLE
if (triang) then
if (m/=n) call MpiStop('Matrix_RotateSymm: Matrices must be same size')
call SSYMM('L','U',n,n,ROne,Mat,Size(Mat,DIM=1),U,Size(U,DIM=1),RZero,Out,Size(Out,Dim=1))
call STRMM('Left','Upper','Transpose','Not-unit',n,n,ROne,U,Size(U,DIM=1),Out,Size(Out,Dim=1))
else
allocate(C(n,m))
call SSYMM('L','U',n,m,ROne,Mat,Size(Mat,DIM=1),U,Size(U,DIM=1),RZero,C,n)
call SGEMM('T','N',m,m,n,ROne,U,Size(U,DIM=1),C,n,RZero,Out,Size(Out,Dim=1))
deallocate(C)
end if
#else
if (triang) then
if (m/=n) call MpiStop('Matrix_RotateSymm: Matrices must be same size')
call DSYMM('L','U',n,n,ROne,Mat,Size(Mat,DIM=1),U,Size(U,DIM=1),RZero,Out,Size(Out,Dim=1))
call DTRMM('Left','Upper','Transpose','Not-unit',n,n,ROne,U,Size(U,DIM=1),Out,Size(Out,Dim=1))
else
allocate(C(n,m))
call DSYMM('L','U',n,m,ROne,Mat,Size(Mat,DIM=1),U,Size(U,DIM=1),RZero,C,n)
call DGEMM('T','N',m,m,n,ROne,U,Size(U,DIM=1),C,n,RZero,Out,Size(Out,Dim=1))
deallocate(C)
end if
#endif
end if
call Matrix_End('RotateSymm')
end subroutine Matrix_RotateSymm
subroutine Matrix_RotateAntiSymm(Mat,U,m,Out)
!Gets U^T Mat U
!Where Mat = -Mat^T
integer, intent(in) ::m
real(dm), intent(in) :: Mat(:,:),U(:,:)
real(dm) Out(:,:)
real(dm), dimension(:,:), allocatable :: C
integer i,j,n
call Matrix_Start('RotateAntiSymm')
n = Size(Mat,DIM=1)
if (n /= Size(Mat,DIM=2)) call MpiStop('Matrix_RotateAntiSymm: Need square matrix')
if (n /= Size(U,DIM=1)) call MpiStop('Matrix_RotateAntiSymm: Matrix size mismatch')
if (Size(Out,DIM=1) < m .or. Size(Out,DIM=2) < m) &
call MpiStop('Matrix_RotateAntiSymm: Wrong output size')
if (matrix_method == Mat_F90) then
Out = matmul(matmul(transpose(U(1:n,1:m)),Mat),U(1:n,1:m))
else
allocate(C(n,m))
C = U(1:n,1:m)
#ifdef MATRIX_SINGLE
call STRMM('Left','Lower','Not-Transpose','Not-unit',n,m,ROne,Mat,Size(Mat,DIM=1),C,Size(C,Dim=1))
call SGEMM('T','N',m,m,n,ROne,U,Size(U,DIM=1),C,n,RZero,Out,Size(Out,Dim=1))
#else
call DTRMM('Left','Lower','Not-Transpose','Not-unit',n,m,ROne,Mat,Size(Mat,DIM=1),C,Size(C,Dim=1))
call DGEMM('T','N',m,m,n,ROne,U,Size(U,DIM=1),C,n,RZero,Out,Size(Out,Dim=1))
#endif
deallocate(C)
end if
do i=1, m
do j=1,i
Out(j,i) = Out(j,i) - Out(i,j)
out(i,j) = -Out(j,i)
end do
end do
call Matrix_End('RotateAntiSymm')
end subroutine Matrix_RotateAntiSymm
subroutine Matrix_CMult_SymmRight(Mat,U,Out,a,b)
complex(dm), intent(in) :: Mat(:,:),U(:,:)
complex(dm) Out(:,:)
complex(dm), intent(in), optional :: a,b
complex(dm) mult, beta
integer n,m
call Matrix_Start('CMult_SymmRight')
m = Size(Mat,DIM=1)
n = Size(U,DIM=2)
if (n /= Size(Mat,DIM=2) .or. n/=Size(U,DIM=1)) &
call MpiStop('Matrix_CMult_SymmRight: Size mismatch')
if (present(a)) then
mult = a
else
mult = COne
end if
if (present(b)) then
beta = b
else
beta = CZero
end if
if (matrix_method == Mat_F90) then
if (beta /= CZero) then
out = a*MatMul(Mat,U) + beta*Out
else
out = MatMul(Mat,U)
if (mult /= COne) Out = Out*mult
end if
else
#ifdef MATRIX_SINGLE
call CHEMM('R','U',m,n,mult,U,Size(U,DIM=1),Mat,Size(Mat,DIM=1),beta,Out,Size(Out,DIM=1))
#else
call ZHEMM('R','U',m,n,mult,U,Size(U,DIM=1),Mat,Size(Mat,DIM=1),beta,Out,Size(Out,DIM=1))
#endif
end if
call Matrix_End('CMult_SymmRight')
end subroutine Matrix_CMult_SymmRight
subroutine Matrix_CMult_SymmLeft(Mat,U,Out,a,b)
complex(dm), intent(in) :: Mat(:,:),U(:,:)
complex(dm) Out(:,:)
complex(dm), intent(in), optional :: a,b
complex(dm) mult, beta
integer n,m
call Matrix_Start('CMult_SymmLeft')
m = Size(Mat,DIM=1)
n = Size(U,DIM=2)
if (m /= Size(U,DIM=1) .or. m/=Size(Mat,DIM=2)) &
call MpiStop('Matrix_CMult_SymmLeft: Size mismatch')
if (present(a)) then
mult = a
else
mult = COne
end if
if (present(b)) then
beta = b
else
beta = CZero
end if
if (matrix_method == Mat_F90) then
if (beta /= CZero) then
out = a*MatMul(Mat,U) + beta*Out
else
out = MatMul(Mat,U)
if (mult /= COne) Out = Out*mult
end if
else
#ifdef MATRIX_SINGLE
call CHEMM('L','U',m,n,mult,Mat,Size(Mat,DIM=1),U,Size(U,DIM=1),beta,Out,Size(Out,DIM=1))
#else
call ZHEMM('L','U',m,n,mult,Mat,Size(Mat,DIM=1),U,Size(U,DIM=1),beta,Out,Size(Out,DIM=1))
#endif
end if
call Matrix_End('CMult_SymmLeft')
end subroutine Matrix_CMult_SymmLeft
subroutine Matrix_CMult(Mat,U,Out,a,b)
! Out = a*Mat U + b*out
complex(dm), intent(in) :: Mat(:,:),U(:,:)
complex(dm) Out(:,:)
complex(dm), intent(in), optional :: a,b
complex(dm) mult, beta
integer m,n,k
call Matrix_Start('CMult')
m = Size(Mat,DIM=1)
n = Size(U,DIM=2)
k = Size(Mat,DIM=2)
if (k /= Size(U,DIM=1)) call MpiStop('Matrix_Mult: Matrix size mismatch')
if (present(a)) then
mult = a
else
mult = COne
end if
if (present(b)) then
beta = b
else
beta = CZero
end if
if (matrix_method == Mat_F90) then
if (beta /= CZero) then
out = a*MatMul(Mat,U) + beta*Out
else
out = MatMul(Mat,U)
if (mult /= COne) Out = Out*mult
end if
else
#ifdef MATRIX_SINGLE
call CGEMM('N','N',m,n,k,mult,Mat,m,U,k,beta,Out,Size(Out,Dim=1))
#else
call ZGEMM('N','N',m,n,k,mult,Mat,m,U,k,beta,Out,Size(Out,Dim=1))
#endif
end if
call Matrix_End('CMult')
end subroutine Matrix_CMult
subroutine Matrix_MultSq_RepRight(Mat,U,a)
!U = a*Mat*U
real(dm), intent(in) :: Mat(:,:)
real(dm), intent(inout) ::U(:,:)
real(dm), intent(in), optional :: a
real(dm) aa
integer m,n
real(dm), dimension(:,:), allocatable :: tmp
m = Size(Mat,DIM=1)
n = Size(Mat,DIM=2)
if (m /= n) call MpiStop('Matrix_MultSq: Matrix size mismatch')
m = Size(U,DIM=1)
n = Size(U,DIM=2)
if (m /= n) call MpiStop('Matrix_MultSq: Matrix size mismatch')
allocate(tmp(n,n))
if (present(a)) then
aa=a
else
aa=ROne
end if
call Matrix_Mult(Mat,U,tmp,aa)
U = tmp
deallocate(tmp)
end subroutine Matrix_MultSq_RepRight
subroutine Matrix_MultTri(Mat,L, side)
! Mat -> L Mat or Mat L where L is lower triangular
real(dm), intent(inout) :: Mat(:,:)
real(dm), intent(in) :: L(:,:)
character(LEN=*), intent(in) :: side
integer m,n
call Matrix_Start('Matrix_MultTri')
m = Size(Mat,DIM=1)
n = Size(Mat,DIM=2)
if (side(1:1)=='L') then
if (Size(L,DIM=2) /= m) call MpiStop('Matrix_MultTri: Matrix size mismatch')
else
if (Size(L,DIM=1) /= n) call MpiStop('Matrix_MultTri: Matrix size mismatch')
end if
#ifdef MATRIX_SINGLE
call STRMM(side,'Lower','Not-Transpose','Not-unit',m,n,ROne,L,Size(L,DIM=1),Mat,Size(Mat,Dim=1))
#else
call DTRMM(side,'Lower','Not-Transpose','Not-unit',m,n,ROne,L,Size(L,DIM=1),Mat,Size(Mat,Dim=1))
#endif
call Matrix_End('Matrix_MultTri')
end subroutine Matrix_MultTri
subroutine Matrix_Mult(Mat,U,Out,a,b)
! Out = a*Mat U + b*out
real(dm), intent(in) :: Mat(:,:),U(:,:)
real(dm) :: Out(:,:)
real(dm), intent(in), optional :: a,b
real(dm) mult, beta
integer m,n,k
call Matrix_Start('Mult')
m = Size(Mat,DIM=1)
n = Size(U,DIM=2)
k = Size(Mat,DIM=2)
if (k /= Size(U,DIM=1)) call MpiStop('Matrix_Mult: Matrix size mismatch')
if (present(a)) then