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elpa
Commit 108129a3 authored by Pavel Kus's avatar Pavel Kus
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generalized eigenvector problem progress

parent 85af2858
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Showing with 147 additions and 20 deletions
generate_automake_test_programs.py
View file @ 108129a3
......@@ -133,6 +133,10 @@ for m, g, t, p, d, s, l in product(
if (t == "qr" and (s == "1stage" or d == "complex")):
continue
#TODO: this does not work at the moment
if(t == "generalized" and (l == "all_layouts" or s == "2stage")):
continue
create_test(m, g, t, p, d, s, l, "fortran")
......
src/elpa_impl.F90
View file @ 108129a3
......@@ -125,12 +125,16 @@ module elpa_impl
procedure, public :: associate_int => elpa_associate_int !< public method to set some pointers
procedure, private :: elpa_transform_generalized_d
procedure, private :: elpa_transform_back_generalized_d
procedure, private :: elpa_transform_generalized_dc
procedure, private :: elpa_transform_back_generalized_dc
#ifdef WANT_SINGLE_PRECISION_REAL
procedure, private :: elpa_transform_generalized_f
procedure, private :: elpa_transform_back_generalized_f
#endif
#ifdef WANT_SINGLE_PRECISION_COMPLEX
procedure, private :: elpa_transform_generalized_fc
procedure, private :: elpa_transform_back_generalized_fc
#endif
end type elpa_impl_t
......@@ -1236,6 +1240,11 @@ module elpa_impl
logical :: success_l
call self%elpa_transform_generalized_d(a, b, sc_desc, error_l)
if (present(error)) then
error = error_l
else if (error_l .ne. ELPA_OK) then
write(error_unit,'(a)') "ELPA: Error in transform_generalized() and you did not check for errors!"
endif
call self%get("solver", solver)
if (solver .eq. ELPA_SOLVER_1STAGE) then
......@@ -1257,6 +1266,13 @@ module elpa_impl
else if (.not. success_l) then
write(error_unit,'(a)') "ELPA: Error in solve() and you did not check for errors!"
endif
call self%elpa_transform_back_generalized_d(b, q, sc_desc, error_l)
if (present(error)) then
error = error_l
else if (error_l .ne. ELPA_OK) then
write(error_unit,'(a)') "ELPA: Error in transform_back_generalized() and you did not check for errors!"
endif
end subroutine
!c> void elpa_generalized_eigenvectors_d(elpa_t handle, double *a, double *ev, double *q, int *error);
......@@ -1321,10 +1337,18 @@ module elpa_impl
integer :: sc_desc(SC_DESC_LEN)
integer, optional :: error
integer :: error_l
integer(kind=c_int) :: solver
#ifdef WANT_SINGLE_PRECISION_REAL
logical :: success_l
call self%elpa_transform_generalized_f(a, b, sc_desc, error_l)
if (present(error)) then
error = error_l
else if (error_l .ne. ELPA_OK) then
write(error_unit,'(a)') "ELPA: Error in transform_generalized() and you did not check for errors!"
endif
call self%get("solver",solver)
if (solver .eq. ELPA_SOLVER_1STAGE) then
success_l = elpa_solve_evp_real_1stage_single_impl(self, a, ev, q)
......@@ -1345,6 +1369,13 @@ module elpa_impl
else if (.not. success_l) then
write(error_unit,'(a)') "ELPA: Error in solve() and you did not check for errors!"
endif
call self%elpa_transform_back_generalized_f(b, q, sc_desc, error_l)
if (present(error)) then
error = error_l
else if (error_l .ne. ELPA_OK) then
write(error_unit,'(a)') "ELPA: Error in transform_back_generalized() and you did not check for errors!"
endif
#else
print *,"This installation of the ELPA library has not been build with single-precision support"
error = ELPA_ERROR
......@@ -1415,9 +1446,17 @@ module elpa_impl
integer :: sc_desc(SC_DESC_LEN)
integer, optional :: error
integer :: error_l
integer(kind=c_int) :: solver
logical :: success_l
call self%elpa_transform_generalized_dc(a, b, sc_desc, error_l)
if (present(error)) then
error = error_l
else if (error_l .ne. ELPA_OK) then
write(error_unit,'(a)') "ELPA: Error in transform_generalized() and you did not check for errors!"
endif
call self%get("solver", solver)
if (solver .eq. ELPA_SOLVER_1STAGE) then
success_l = elpa_solve_evp_complex_1stage_double_impl(self, a, ev, q)
......@@ -1438,6 +1477,13 @@ module elpa_impl
else if (.not. success_l) then
write(error_unit,'(a)') "ELPA: Error in solve() and you did not check for errors!"
endif
call self%elpa_transform_back_generalized_dc(b, q, sc_desc, error_l)
if (present(error)) then
error = error_l
else if (error_l .ne. ELPA_OK) then
write(error_unit,'(a)') "ELPA: Error in transform_back_generalized() and you did not check for errors!"
endif
end subroutine
......@@ -1505,10 +1551,18 @@ module elpa_impl
integer :: sc_desc(SC_DESC_LEN)
integer, optional :: error
integer :: error_l
integer(kind=c_int) :: solver
#ifdef WANT_SINGLE_PRECISION_COMPLEX
logical :: success_l
call self%elpa_transform_generalized_fc(a, b, sc_desc, error_l)
if (present(error)) then
error = error_l
else if (error_l .ne. ELPA_OK) then
write(error_unit,'(a)') "ELPA: Error in transform_generalized() and you did not check for errors!"
endif
call self%get("solver", solver)
if (solver .eq. ELPA_SOLVER_1STAGE) then
success_l = elpa_solve_evp_complex_1stage_single_impl(self, a, ev, q)
......@@ -1529,6 +1583,13 @@ module elpa_impl
else if (.not. success_l) then
write(error_unit,'(a)') "ELPA: Error in solve() and you did not check for errors!"
endif
call self%elpa_transform_back_generalized_fc(b, q, sc_desc, error_l)
if (present(error)) then
error = error_l
else if (error_l .ne. ELPA_OK) then
write(error_unit,'(a)') "ELPA: Error in transform_back_generalized() and you did not check for errors!"
endif
#else
print *,"This installation of the ELPA library has not been build with single-precision support"
error = ELPA_ERROR
......
src/elpa_impl_template.F90
View file @ 108129a3
......@@ -55,3 +55,36 @@
end subroutine
subroutine elpa_transform_back_generalized_&
&ELPA_IMPL_SUFFIX&
&(self, b, q, sc_desc, error)
implicit none
#include "general/precision_kinds.F90"
class(elpa_impl_t) :: self
#ifdef USE_ASSUMED_SIZE
MATH_DATATYPE(kind=rck) :: b(self%local_nrows, *), q(self%local_nrows, *)
#else
MATH_DATATYPE(kind=rck) :: b(self%local_nrows, self%local_ncols), q(self%local_nrows, self%local_ncols)
#endif
integer :: error
integer :: sc_desc(9)
! local helper array. TODO: do we want it this way? (do we need it? )
MATH_DATATYPE(kind=rck) :: tmp(self%local_nrows, self%local_ncols)
!todo: part of eigenvectors only
#ifdef WITH_MPI
! Q <= inv(U) * Q
call p&
&BLAS_CHAR&
&trmm("L", "U", "N", "N", self%na, self%na, &
ONE, b, 1, 1, sc_desc, q, 1, 1, sc_desc)
#else
call BLAS_CHAR&
&trmm("L", "U", "N", "N", self%na, self%na, &
ONE, b, self%na, q, self%na)
#endif
end subroutine
test/Fortran/test.F90
View file @ 108129a3
......@@ -344,8 +344,8 @@ program test
!call prepare_matrix_random(na, myid, sc_desc, b, z, bs)
! TODO create random SPD matrix
!diagonalElement = (2.546_rk, 0.0_rk)
diagonalElement = ONE
subdiagonalElement = (0.0_rk, 0.0_rk)
diagonalElement = 2.546_rk * ONE
subdiagonalElement = ZERO
call prepare_matrix_toeplitz(na, diagonalElement, subdiagonalElement, &
d, sd, ds, sds, b, bs, nblk, np_rows, &
np_cols, my_prow, my_pcol)
......@@ -518,7 +518,12 @@ program test
! status = check_correctness_evp_numeric_residuals(na, nev, as, z, ev, sc_desc, nblk, myid, np_rows,np_cols, my_prow, my_pcol)
!#elif defined(TEST_MATRIX_RANDOM)
if (nev .ge. 1) then
#if defined(TEST_GENERALIZED_EIGENPROBLEM)
status = check_correctness_evp_numeric_residuals(na, nev, as, z, ev, sc_desc, nblk, myid, np_rows,np_cols, my_prow, &
my_pcol, bs)
#else
status = check_correctness_evp_numeric_residuals(na, nev, as, z, ev, sc_desc, nblk, myid, np_rows,np_cols, my_prow, my_pcol)
#endif
else
! zero eigenvectors and no analytic test => toeplitz
status = check_correctness_eigenvalues_toeplitz(na, diagonalElement, &
......
test/shared/test_check_correctness_template.F90
View file @ 108129a3
......@@ -45,12 +45,13 @@
&MATH_DATATYPE&
&_&
&PRECISION&
& (na, nev, as, z, ev, sc_desc, nblk, myid, np_rows, np_cols, my_prow, my_pcol) result(status)
& (na, nev, as, z, ev, sc_desc, nblk, myid, np_rows, np_cols, my_prow, my_pcol, bs) result(status)
implicit none
#include "../../src/general/precision_kinds.F90"
integer(kind=ik) :: status
integer(kind=ik), intent(in) :: na, nev, nblk, myid, np_rows, np_cols, my_prow, my_pcol
MATH_DATATYPE(kind=rck), intent(in) :: as(:,:), z(:,:)
MATH_DATATYPE(kind=rck), intent(in) :: as(:,:), z(:,:)
MATH_DATATYPE(kind=rck), intent(in), optional :: bs(:,:)
real(kind=rk) :: ev(:)
MATH_DATATYPE(kind=rck), dimension(size(as,dim=1),size(as,dim=2)) :: tmp1, tmp2
MATH_DATATYPE(kind=rck) :: xc
......@@ -76,10 +77,13 @@
real(kind=rk), parameter :: tol_res_real_single = 3e-3_rk
real(kind=rk), parameter :: tol_res_complex_double = 5e-12_rk
real(kind=rk), parameter :: tol_res_complex_single = 3e-3_rk
real(kind=rk), parameter :: tol_res = tol_res_&
real(kind=rk) :: tol_res = tol_res_&
&MATH_DATATYPE&
&_&
&PRECISION
! precision of generalized problem is lower
real(kind=rk), parameter :: generalized_penalty = 10.0_rk
! tolerance for the orthogonality test for different math type/precision setups
real(kind=rk), parameter :: tol_orth_real_double = 5e-12_rk
real(kind=rk), parameter :: tol_orth_real_single = 9e-4_rk
......@@ -90,34 +94,50 @@
&_&
&PRECISION
if(present(bs)) then
tol_res = generalized_penalty * tol_res
endif
status = 0
! 1. Residual (maximum of || A*Zi - Zi*EVi ||)
! tmp1 = A * Z
! as is original stored matrix, Z are the EVs
#ifdef WITH_MPI
call scal_PRECISION_GEMM('N', 'N', na, nev, na, ONE, as, 1, 1, sc_desc, &
z, 1, 1, sc_desc, ZERO, tmp1, 1, 1, sc_desc)
#else /* WITH_MPI */
call PRECISION_GEMM('N','N',na,nev,na,ONE,as,na,z,na,ZERO,tmp1,na)
#endif /* WITH_MPI */
! tmp2 = Zi*EVi
tmp2(:,:) = z(:,:)
! tmp1 = Zi*EVi
tmp1(:,:) = z(:,:)
do i=1,nev
xc = ev(i)
#ifdef WITH_MPI
call p&
&BLAS_CHAR&
&scal(na, xc, tmp2, 1, i, sc_desc, 1)
&scal(na, xc, tmp1, 1, i, sc_desc, 1)
#else /* WITH_MPI */
call BLAS_CHAR&
&scal(na,xc,tmp2(:,i),1)
&scal(na,xc,tmp1(:,i),1)
#endif /* WITH_MPI */
enddo
! for generalized EV problem, multiply by bs as well
! tmp2 = B * tmp1
if(present(bs)) then
#ifdef WITH_MPI
call scal_PRECISION_GEMM('N', 'N', na, nev, na, ONE, bs, 1, 1, sc_desc, &
tmp1, 1, 1, sc_desc, ZERO, tmp2, 1, 1, sc_desc)
#else /* WITH_MPI */
call PRECISION_GEMM('N','N',na,nev,na,ONE,bs,na,tmp1,na,ZERO,tmp2,na)
#endif /* WITH_MPI */
else
! normal eigenvalue problem .. no need to multiply
tmp2(:,:) = tmp1(:,:)
end if
! tmp1 = A * Z
! as is original stored matrix, Z are the EVs
#ifdef WITH_MPI
call scal_PRECISION_GEMM('N', 'N', na, nev, na, ONE, as, 1, 1, sc_desc, &
z, 1, 1, sc_desc, ZERO, tmp1, 1, 1, sc_desc)
#else /* WITH_MPI */
call PRECISION_GEMM('N','N',na,nev,na,ONE,as,na,z,na,ZERO,tmp1,na)
#endif /* WITH_MPI */
! tmp1 = A*Zi - Zi*EVi
tmp1(:,:) = tmp1(:,:) - tmp2(:,:)
......@@ -166,7 +186,9 @@
endif
! 2. Eigenvector orthogonality
!TODO for the generalized eigenvector problem, the orthogonality test has to be altered
!TODO at the moment, it is skipped
if(.not. present(bs)) then
! tmp1 = Z**T * Z
tmp1 = 0
#ifdef WITH_MPI
......@@ -223,6 +245,8 @@
status = 1
endif
endif
endif ! skiping test of orthogonality for generalized eigenproblem
end function
......
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