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spclibs/examples/pde1d_eig_zcsr.f90
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pde1d_eig_zcsr.f90
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!>
!> @file pde1d_eig_zcsr.f90
!>
!> @brief
!>
!> @copyright
!> Copyright (©) 2021 EPFL (Ecole Polytechnique Fédérale de Lausanne)
!> SPC (Swiss Plasma Center)
!>
!> spclibs is free software: you can redistribute it and/or modify it under
!> the terms of the GNU Lesser General Public License as published by the Free
!> Software Foundation, either version 3 of the License, or (at your option)
!> any later version.
!>
!> spclibs is distributed in the hope that it will be useful, but WITHOUT ANY
!> WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
!> FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
!>
!> You should have received a copy of the GNU Lesser General Public License
!> along with this program. If not, see <https://www.gnu.org/licenses/>.
!>
!> @authors
!> (in alphabetical order)
!> @author Trach-Minh Tran <trach-minh.tran@epfl.ch>
!>
PROGRAM main
!
! Solving the following 1d differential eqation using splines:
!
! -d/dr[r d/dr] f = k^2 r^(k-1), with f(r=1) = 0
! exact solution: f(r) = 1 - r^k
!
USE bsplines
USE csr
USE futils
USE f95_precision, ONLY: WP => DP
USE lapack95, ONLY: geev
IMPLICIT NONE
INTEGER :: nx, nidbas, ngauss, kdiff
INTEGER :: i, nrank, kl, ku
LOGICAL :: nlppform
DOUBLE PRECISION :: coefs(5)
DOUBLE PRECISION, DIMENSION(:), ALLOCATABLE :: xgrid, rhs, sol
TYPE(spline1d) :: splx
TYPE(zcsr_mat) :: mat
!
CHARACTER(len=128) :: file='pde1d.h5'
INTEGER :: fid, ffid
DOUBLE PRECISION, DIMENSION(:), ALLOCATABLE :: arr
DOUBLE PRECISION :: seconds, t0, tmat, teig, tarpack
!
! Lapack95 GEEV arguments
COMPLEX(WP), ALLOCATABLE :: mata(:,:), w(:)
REAL(WP), ALLOCATABLE :: WR(:), WI(:)
INTEGER :: j, info
!
INTEGER, PARAMETER :: maxn=256, maxnev=maxn, maxncv=25
INTEGER :: lworkl, zero=0.0d0
DOUBLE PRECISION :: d(maxncv,2), tol=0.0d0, rwork(maxncv)
DOUBLE COMPLEX :: v(maxn,maxncv), resid(maxn), sigma
DOUBLE COMPLEX :: workd(3*maxncv), lwork(2*maxn)
DOUBLE COMPLEX, ALLOCATABLE :: workl(:), vl(:,:), vr(:,:)
DOUBLE PRECISION, EXTERNAL :: dnrm2
INTEGER :: nev=10, ncv=20, ishfts=1, maxitr=300, nconv, &
& mode1=1, ierr
INTEGER :: ido, ipntr(14), iparam(11)
CHARACTER(len=1) :: bmat='I'
CHARACTER(len=2) :: which='SA'
LOGICAL :: rvec, select(maxncv)
!
INTERFACE
SUBROUTINE dismat(spl, mat)
USE bsplines
USE csr
TYPE(spline1d), INTENT(in) :: spl
TYPE(zcsr_mat), INTENT(inout) :: mat
END SUBROUTINE dismat
SUBROUTINE disrhs(kdiff, spl, rhs)
USE bsplines
INTEGER, INTENT(in) :: kdiff
TYPE(spline1d), INTENT(in) :: spl
DOUBLE PRECISION, INTENT(out) :: rhs(:)
END SUBROUTINE disrhs
SUBROUTINE meshdist(coefs, x, nx)
DOUBLE PRECISION, INTENT(in) :: coefs(5)
INTEGER, INTENT(iN) :: nx
DOUBLE PRECISION, INTENT(inout) :: x(0:nx)
END SUBROUTINE meshdist
END INTERFACE
!
NAMELIST /newrun/ nx, nidbas, ngauss, kdiff, nlppform, coefs, nev, ncv, which
!===========================================================================
! 1.0 Prologue
!
! Read in data specific to run
!
nx = 8 ! Number oh intevals in x
nidbas = 3 ! Degree of splines
ngauss = 4 ! Number of Gauss points/interval
kdiff = 2 ! Exponent of differential problem
nlppform = .TRUE. ! Use PPFORM for gridval or not
coefs(1:5) = (/0.2d0, 1.d0, 0.d0, 0.d0, 1.d0/) ! Mesh point distribution function
! see function FDIST in MESHDIST
!
READ(*,newrun)
WRITE(*,newrun)
!
! Define grid on x axis
!
ALLOCATE(xgrid(0:nx))
xgrid(0) = 0.0d0
xgrid(nx) = 1.0d0
CALL meshdist(coefs, xgrid, nx)
WRITE(*,'(a/(10f8.3))') 'XGRID', xgrid(0:nx)
WRITE(*,'(a/(10f8.3))') 'Diff XGRID', (xgrid(i)-xgrid(i-1), i=1,nx)
WRITE(*,'(a/(10f8.3))') 'Diff XGRID**2', (xgrid(i)**2-xgrid(i-1)**2, i=1,nx)
!
! Create hdf5 file
!
CALL creatf(file, fid, 'PDE1D Result File')
CALL attach(fid, '/', 'NX', nx)
CALL attach(fid, '/', 'NIDBAS', nidbas)
CALL attach(fid, '/', 'NGAUSS', ngauss)
CALL attach(fid, '/', 'KDIFF', kdiff)
!===========================================================================
! 2.0 Discretize the PDE
!
! Set up spline
!
t0 = seconds()
CALL set_spline(nidbas, ngauss, xgrid, splx, nlppform=nlppform)
CALL get_dim(splx, nrank) ! Rank of the FE matrix
WRITE(*,'(a,l6)') 'splx%nlequid', splx%nlequid
!
! FE matrix assembly
!
kl = nidbas
ku = kl
WRITE(*,'(a,3i6)') 'kl, ku, nrank', kl, ku, nrank
CALL init(nrank, 1, mat)
CALL dismat(splx, mat)
!!$ CALL conmat(splx, mat, coefeq)
CALL to_mat(mat)
PRINT*,'MAT after to_mat', mat%val
CALL creatf('pde1d_eig.h5', ffid, 'PDE1D Result File', real_prec='D')
PRINT*, 'rank', mat%rank
PRINT*, 'nnz', mat%nnz
PRINT*, 'irow', mat%irow
PRINT*, 'cols', mat%cols
CALL putmat(ffid,'/MAT',mat,'FE matrix')
PRINT*, 'MAT',mat%val
CALL closef(ffid)
STOP
!
!
ALLOCATE(arr(nrank))
!!$ WRITE(*,'(/a)') 'Matrice before BC'
!!$ DO i=1,nrank
!!$ CALL getrow(mat, i, arr)
!!$ WRITE(*,'(12f8.3)') arr, SUM(arr)
!!$ END DO
!
! RHS assembly
!
ALLOCATE(rhs(nrank), sol(nrank))
CALL disrhs(kdiff, splx, rhs)
!!$ WRITE(*,'(/a,/(12(f8.3)))') 'RHS before BC', rhs
!!$!
!!$! Set BC f(r=1) = 0 on matrix
!!$!
!!$ arr(1:nrank-1) = 0.0d0
!!$ arr(nrank) = 1.0d0
!!$ CALL putrow(mat, nrank, arr)
!!$ CALL putcol(mat, nrank, arr)
CALL putmat(fid,'/MATA', mat, 'FE matrix')
tmat = seconds() - t0
!
!===========================================================================
! 3.0 Eigevalue problem
!
! Using Lapack dsyev
!
t0 = seconds()
ALLOCATE(mata(nrank,nrank))
ALLOCATE(w(nrank))
ALLOCATE(wr(nrank), wi(nrank))
ALLOCATE(vl(nrank,nrank), vr(nrank,nrank))
mata=0.0d0
DO j=1,nrank
CALL getcol(mat, j, mata(:,j)) ! convert to dense matrix mata
END DO
CALL putarr(fid, '/MAT', mata, 'matrix A')
CALL geev(mata, w)
wr(:) = REAL(w(:))
wi(:) = AIMAG(w(:))
teig = seconds() - t0
PRINT*,'Info from ZGEEV', info, arr(1)
IF(info.EQ.0) THEN
CALL putarr(fid, '/REIGVS', wr, 'eigenvalues of A')
CALL putarr(fid, '/IEIGVS', wi, 'eigenvectors of A')
WRITE(*,'(a/(10f10.4))') 'Real eigval', wr
WRITE(*,'(a/(10f10.4))') 'Imag eigval', wi
END IF
!
! Using Arpack
!
ido = 0
iparam(1) = ishfts
iparam(3) = maxitr
iparam(7) = mode1
!
lworkl = 3*ncv**2+5*ncv
ALLOCATE(workl(lworkl))
!
IF(nev.GT.0) THEN
t0 = seconds()
DO ! ARPACK reverse communication loop
CALL dsaupd(ido, bmat, nrank, which, nev, tol, resid, ncv, &
& v, SIZE(v,1), iparam, ipntr, workd, workl, lworkl, &
& rwork, info)
IF(ido.EQ.-1 .OR. ido.EQ.1) THEN
!!$ WRITE(*,'(a/(10i4))') 'ipntr', ipntr
CALL av(nrank,workd(ipntr(1)), workd(ipntr(2)))
CYCLE
END IF
IF(info .LT. 0) THEN
PRINT*, 'Error in _saupd with info =', info
ELSE
rvec = .TRUE.
CALL dseupd(rvec, 'All', SELECT, d, v, maxn, sigma, &
& bmat, nrank, which, nev, tol, resid, ncv, v, maxn, &
& iparam, ipntr, workd, workl, lworkl, ierr )
IF( ierr .NE. 0 ) THEN
PRINT*,'Error in _seupd with ierr =', ierr
ELSE
nconv = iparam(5)
PRINT*, '--- eigenvalues and error ---'
DO j=1,nconv ! Residual norms
!!$ CALL av(nrank,v(1,j), w) ! d(1,j) is the j^th eigenvalue
!!$ CALL daxpy(nrank, -d(j,1), v(1,j), 1, w, 1)
!!$ d(j,2) = dnrm2(nrank, w, 1)
!!$ d(j,2) = d(j,2)/abs(d(j,1))
WRITE(*,'(2(1pe12.4))') d(j,1), eigvals(j)-d(j,1)
!!$ CALL putarr(fid, '/EIGVS', d(:,1), 'ARPACK eigenvalues of A')
!!$ CALL putarr(fid, '/EIGVECS', v, 'ARPACK eigenvectors of A')
END DO
EXIT
END IF
END IF
END DO ! End of ARPACK reverse communication loop
tarpack = seconds()-t0
END IF
!===========================================================================
! 9.0 Epilogue
!
WRITE(*,'(a)') '---'
WRITE(*,'(a,1pe12.3)') 'Matrice construction time (s) ', tmat
WRITE(*,'(a,1pe12.3)') 'Lapack: Matrice eigvalue time (s)', teig
WRITE(*,'(a,1pe12.3)') 'Arpack: Matrice eigvalue time (s)', tarpack
!
DEALLOCATE(xgrid, rhs, sol)
DEALLOCATE(arr)
CALL destroy(mat)
CALL destroy_sp(splx)
CALL closef(fid)
CONTAINS
SUBROUTINE av(n,v,w)
!
! Matrix vector product: w <- Av
INTEGER, INTENT(in) :: n
DOUBLE COMPLEX, INTENT(in) :: v(*)
DOUBLE COMPLEX, INTENT(out) :: w(*)
w(1:n) = vmx(mat,v(1:n))
END SUBROUTINE av
SUBROUTINE coefeq(x, idt, idw, c)
DOUBLE PRECISION, INTENT(in) :: x
INTEGER, INTENT(out) :: idt(:), idw(:)
DOUBLE PRECISION, INTENT(out) :: c(:)
!
! Weak form = Int(x*dw/dx*dt/dx)dx
!
c(1) = x
idt(1) = 1
idw(1) = 1
END SUBROUTINE coefeq
END PROGRAM main
!
!+++
SUBROUTINE meshdist(c, x, nx)
!
! Construct an 1d non-equidistant mesh given a
! mesh distribution function defined in FDIST
!
IMPLICIT NONE
DOUBLE PRECISION, INTENT(in) :: c(5)
INTEGER, INTENT(iN) :: nx
DOUBLE PRECISION, INTENT(inout) :: x(0:nx)
INTEGER :: nintg
DOUBLE PRECISION, DIMENSION(:), ALLOCATABLE :: xint, fint
DOUBLE PRECISION :: a, b, dx, f0, f1, scal
INTEGER :: i, k
!
a=x(0)
b=x(nx)
nintg = 10*nx
ALLOCATE(xint(0:nintg), fint(0:nintg))
!
! Mesh distribution
!
dx = (b-a)/REAL(nintg)
xint(0) = a
fint(0) = 0.0d0
f1 = fdist(xint(0))
DO i=1,nintg
f0 = f1
xint(i) = xint(i-1) + dx
f1 = fdist(xint(i))
fint(i) = fint(i-1) + 0.5*(f0+f1)
END DO
!
! Normalization
!
scal = REAL(nx) / fint(nintg)
fint(0:nintg) = fint(0:nintg) * scal
!!$ WRITE(*,'(a/(10f8.3))') 'FINT', fint
!
! Obtain mesh point by (inverse) interpolation
!
k = 1
DO i=1,nintg-1
IF( fint(i) .GE. REAL(k) ) THEN
x(k) = xint(i) + (xint(i+1)-xint(i))/(fint(i+1)-fint(i)) * &
& (k-fint(i))
k = k+1
END IF
END DO
!
DEALLOCATE(xint, fint)
CONTAINS
DOUBLE PRECISION FUNCTION fdist(x)
DOUBLE PRECISION, INTENT(in) :: x
fdist = c(1) + c(2)*x + c(3)*EXP(-((x-c(4))/c(5))**2)
END FUNCTION fdist
END SUBROUTINE meshdist
!+++
SUBROUTINE dismat(spl, mat)
!
! Assembly FE matrix mat using spline spl
!
USE bsplines
USE csr
IMPLICIT NONE
TYPE(spline1d), INTENT(in) :: spl
TYPE(zcsr_mat), INTENT(inout) :: mat
INTEGER :: nrank, nx, nidbas, ngauss
INTEGER :: i, igauss, iterm, iw, jt, irow, jcol
DOUBLE PRECISION, ALLOCATABLE :: fun(:,:)
DOUBLE PRECISION, ALLOCATABLE :: xgauss(:), wgauss(:)
DOUBLE COMPLEX :: contrib
!
INTEGER :: kterms ! Number of terms in weak form
INTEGER, ALLOCATABLE :: idert(:), iderw(:) ! Derivative order
DOUBLE PRECISION, ALLOCATABLE :: coefs(:)
!===========================================================================
! 1.0 Prologue
!
! Properties of spline space
!
CALL get_dim(spl, nrank, nx, nidbas)
ALLOCATE(fun(0:nidbas,0:1)) ! Spline and its 1st derivative
!
! Weak form
!
kterms = mat%nterms
ALLOCATE(idert(kterms), iderw(kterms), coefs(kterms))
!
! Gauss quadature
!
CALL get_gauss(spl, ngauss)
ALLOCATE(xgauss(ngauss), wgauss(ngauss))
!===========================================================================
! 2.0 Assembly loop
!
DO i=1,nx
CALL get_gauss(spl, ngauss, i, xgauss, wgauss)
DO igauss=1,ngauss
CALL basfun(xgauss(igauss), spl, fun, i)
CALL coefeq(xgauss(igauss), idert, iderw, coefs)
DO iterm=1,kterms
DO jt=0,nidbas
DO iw=0,nidbas
contrib = fun(jt,idert(iterm)) * coefs(iterm) * &
& fun(iw,iderw(iterm)) * wgauss(igauss)
irow=i+iw; jcol=i+jt
CALL updtmat(mat, irow, jcol, contrib)
END DO
END DO
END DO
END DO
END DO
!===========================================================================
! 9.0 Epilogue
!
DEALLOCATE(fun)
DEALLOCATE(xgauss, wgauss)
DEALLOCATE(iderw, idert, coefs)
!
CONTAINS
SUBROUTINE coefeq(x, idt, idw, c)
DOUBLE PRECISION, INTENT(in) :: x
INTEGER, INTENT(out) :: idt(:), idw(:)
DOUBLE PRECISION, INTENT(out) :: c(SIZE(idt))
!
! Weak form = Int(x*dw/dx*dt/dx)dx
!
c(1) = x
idt(1) = 1
idw(1) = 1
END SUBROUTINE coefeq
END SUBROUTINE dismat
!+++
SUBROUTINE disrhs(kdiff, spl, rhs)
!
! Assenbly the RHS using spline spl
!
USE bsplines
IMPLICIT NONE
INTEGER, INTENT(in) :: kdiff
TYPE(spline1d), INTENT(in) :: spl
DOUBLE PRECISION, INTENT(out) :: rhs(:)
INTEGER :: nrank, nx, nidbas, ngauss
INTEGER :: i, igauss, left
DOUBLE PRECISION, ALLOCATABLE :: fun(:,:)
DOUBLE PRECISION, ALLOCATABLE :: xgauss(:), wgauss(:)
DOUBLE PRECISION:: contrib
!===========================================================================
! 1.0 Prologue
!
! Properties of spline space
!
CALL get_dim(spl, nrank, nx, nidbas)
!!$ WRITE(*,'(/a, 5i3)') 'nrank, nx, nidbas =', nrank, nx, nidbas
!
ALLOCATE(fun(nidbas+1,1)) ! needs only basis functions (no derivatives)
!
! Gauss quadature
!
CALL get_gauss(spl, ngauss)
!!$ WRITE(*,'(/a, i3)') 'Gauss points and weights, ngauss =', ngauss
ALLOCATE(xgauss(ngauss), wgauss(ngauss))
!===========================================================================
! 2.0 Assembly loop
!
rhs(1:nrank) = 0.0d0
!
DO i=1,nx
CALL get_gauss(spl, ngauss, i, xgauss, wgauss)
!!$ WRITE(*,'(a,i3,(8f10.4))') 'i=',i, xgauss, wgauss
DO igauss=1,ngauss
CALL basfun(xgauss(igauss), spl, fun, i)
left = i-1
!!$ WRITE(*,'(a,5i4)') '>>>igauss, left', igauss, left
contrib = wgauss(igauss)*rhseq(xgauss(igauss), kdiff)
rhs(i:i+nidbas) = rhs(i:i+nidbas) + contrib*fun(:,1)
END DO
END DO
!===========================================================================
! 9.0 Epilogue
!
DEALLOCATE(fun)
DEALLOCATE(xgauss, wgauss)
!
CONTAINS
DOUBLE PRECISION FUNCTION rhseq(x,k)
DOUBLE PRECISION, INTENT(in) :: x
INTEGER, INTENT(in) :: k
rhseq = k*k*x**(k-1)
END FUNCTION rhseq
END SUBROUTINE disrhs
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