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Use scratch arrays in CG, coupled CG, and GMRES on the CPU #2754

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1f5fe16
Implement
Sep 2, 2026
1e00a63
Update src/krylov/bcknd/cpu/cg.f90
timofeymukha Sep 2, 2026
e2e24b2
standard gmres
Sep 2, 2026
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3 changes: 3 additions & 0 deletions CHANGELOG.md
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Original file line number Diff line number Diff line change
Expand Up @@ -2,6 +2,9 @@

## Develop

- Changed the CPU CG, coupled CG and GMRES solvers to obtain their large work
arrays from the scratch registry for each solve instead of retaining
dedicated storage.
- Added crystal router gather-scatter communication backends,
`NEKO_GS_COMM=CRYSTAL` on the host and `CRYSTALGPU` on the device. They
route the halo in recursive-bisection stages instead of sending one message
Expand Down
6 changes: 3 additions & 3 deletions src/.depends
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Expand Up @@ -227,14 +227,14 @@ krylov/krylov.lo : krylov/krylov.f90 common/log.lo config/neko_config.lo krylov/
krylov/pc_identity.lo : krylov/pc_identity.f90 config/num_types.lo krylov/precon.lo math/math.lo
krylov/precon_fctry.lo : krylov/precon_fctry.f90 config/neko_config.lo common/utils.lo multigrid/phmg.lo krylov/pc_hsmg.lo krylov/bcknd/device/pc_jacobi_device.lo krylov/bcknd/sx/pc_jacobi_sx.lo krylov/bcknd/cpu/pc_jacobi.lo krylov/bcknd/device/pc_identity_device.lo krylov/pc_identity.lo krylov/precon.lo
krylov/krylov_fctry.lo : krylov/krylov_fctry.f90 config/neko_config.lo common/utils.lo krylov/precon.lo config/num_types.lo krylov/bcknd/device/gmres_device.lo krylov/bcknd/sx/gmres_sx.lo krylov/bcknd/device/cheby_device.lo krylov/bcknd/cpu/cheby.lo krylov/bcknd/cpu/gmres.lo krylov/bcknd/cpu/bicgstab.lo krylov/bcknd/device/fusedcg_cpld_device.lo krylov/bcknd/device/fusedcg_device.lo krylov/bcknd/device/pipecg_device.lo krylov/bcknd/sx/pipecg_sx.lo krylov/bcknd/cpu/pipecg.lo krylov/bcknd/cpu/cacg.lo krylov/bcknd/device/cg_cpld_device.lo krylov/bcknd/device/cg_device.lo krylov/bcknd/cpu/cg_coupled.lo krylov/bcknd/sx/cg_sx.lo krylov/bcknd/cpu/cg.lo krylov/krylov.lo
krylov/bcknd/cpu/cg.lo : krylov/bcknd/cpu/cg.f90 comm/comm.lo math/math.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo math/ax.lo krylov/precon.lo krylov/krylov.lo config/num_types.lo config/neko_config.lo
krylov/bcknd/cpu/cg.lo : krylov/bcknd/cpu/cg.f90 comm/comm.lo math/math.lo registries/scratch_registry.lo data_types/host_array.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo math/ax.lo krylov/precon.lo krylov/krylov.lo config/num_types.lo config/neko_config.lo
krylov/bcknd/cpu/cacg.lo : krylov/bcknd/cpu/cacg.f90 math/mxm_wrapper.lo comm/comm.lo common/utils.lo math/math.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo math/ax.lo krylov/precon.lo krylov/krylov.lo config/neko_config.lo config/num_types.lo
krylov/bcknd/cpu/cheby.lo : krylov/bcknd/cpu/cheby.f90 math/math.lo math/schwarz.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/space.lo mesh/mesh.lo sem/coef.lo field/field.lo common/profiler.lo config/num_types.lo math/ax.lo krylov/precon.lo krylov/krylov.lo
krylov/bcknd/cpu/pipecg.lo : krylov/bcknd/cpu/pipecg.f90 comm/comm.lo math/math.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo config/num_types.lo math/ax.lo krylov/precon.lo krylov/krylov.lo config/neko_config.lo
krylov/bcknd/cpu/bicgstab.lo : krylov/bcknd/cpu/bicgstab.f90 comm/comm.lo common/utils.lo math/math.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo math/ax.lo krylov/precon.lo krylov/krylov.lo config/num_types.lo
krylov/bcknd/cpu/gmres.lo : krylov/bcknd/cpu/gmres.f90 comm/comm.lo config/neko_config.lo math/math.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo config/num_types.lo math/ax.lo krylov/precon.lo krylov/krylov.lo
krylov/bcknd/cpu/gmres.lo : krylov/bcknd/cpu/gmres.f90 comm/comm.lo config/neko_config.lo math/math.lo registries/scratch_registry.lo data_types/host_array.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo config/num_types.lo math/ax.lo krylov/precon.lo krylov/krylov.lo
krylov/bcknd/cpu/pc_jacobi.lo : krylov/bcknd/cpu/pc_jacobi.f90 gs/gather_scatter.lo sem/dofmap.lo config/num_types.lo sem/coef.lo krylov/precon.lo math/math.lo
krylov/bcknd/cpu/cg_coupled.lo : krylov/bcknd/cpu/cg_coupled.f90 math/operators.lo common/utils.lo comm/comm.lo math/math.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo math/ax.lo krylov/precon.lo krylov/krylov.lo config/num_types.lo
krylov/bcknd/cpu/cg_coupled.lo : krylov/bcknd/cpu/cg_coupled.f90 math/operators.lo common/utils.lo comm/comm.lo math/math.lo registries/scratch_registry.lo data_types/host_array.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo math/ax.lo krylov/precon.lo krylov/krylov.lo config/num_types.lo
krylov/bcknd/sx/cg_sx.lo : krylov/bcknd/sx/cg_sx.f90 math/math.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo math/ax.lo krylov/precon.lo krylov/krylov.lo config/num_types.lo
krylov/bcknd/sx/pipecg_sx.lo : krylov/bcknd/sx/pipecg_sx.f90 comm/comm.lo math/math.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo config/num_types.lo math/ax.lo krylov/precon.lo krylov/krylov.lo
krylov/bcknd/sx/gmres_sx.lo : krylov/bcknd/sx/gmres_sx.f90 comm/comm.lo math/math.lo bc/vector_bc_projector.lo bc/scalar_bc_projector.lo gs/gather_scatter.lo sem/coef.lo field/field.lo config/num_types.lo math/ax.lo krylov/precon.lo krylov/krylov.lo
Expand Down
87 changes: 52 additions & 35 deletions src/krylov/bcknd/cpu/cg.f90
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Expand Up @@ -43,6 +43,8 @@ module cg
use scalar_bc_projector, only : scalar_bc_projector_t
use vector_bc_projector, only : vector_bc_projector_t, &
vector_bc_projector_components
use host_array, only : host_array_t
use scratch_registry, only : neko_scratch_registry
use math, only : glsc3, abscmp
use comm, only : MPI_EXTRA_PRECISION, MPI_REAL_PRECISION, NEKO_COMM
use mpi_f08, only : MPI_Allreduce, MPI_IN_PLACE, MPI_SUM
Expand All @@ -51,23 +53,35 @@ module cg

integer, parameter :: CG_P_SPACE = 7

!> Standard preconditioned conjugate gradient method
!> CPU implementation of the preconditioned conjugate gradient method.
!!
!! Workspace pointers are associated with host arrays from the scratch
!! registry only for the duration of a solve.
type, public, extends(ksp_t) :: cg_t
real(kind=rp), allocatable :: w(:)
real(kind=rp), allocatable :: r(:)
real(kind=rp), allocatable :: p(:,:)
real(kind=rp), allocatable :: z(:)
real(kind=rp), allocatable :: alpha(:)
!> Operator action \f$w = A p\f$.
real(kind=rp), pointer :: w(:) => null()
!> Residual \f$r = f - A x\f$.
real(kind=rp), pointer :: r(:) => null()
!> Rolling space of search directions \f$p\f$.
real(kind=rp), pointer :: p(:,:) => null()
!> Preconditioned residual \f$z = M^{-1} r\f$.
real(kind=rp), pointer :: z(:) => null()
!> Step lengths associated with the stored search directions.
real(kind=rp), pointer :: alpha(:) => null()
contains
!> Initialise a CPU PCG solver.
procedure, pass(this) :: init => cg_init
!> Free a CPU PCG solver.
procedure, pass(this) :: free => cg_free
!> Solve a linear system with the CPU PCG method.
procedure, pass(this) :: solve => cg_solve
!> Solve three independent systems with the CPU PCG method.
procedure, pass(this) :: solve_coupled => cg_solve_coupled
end type cg_t

contains

!> Initialise a standard PCG solver
!> Initialise a CPU PCG solver.
subroutine cg_init(this, n, max_iter, M, rel_tol, abs_tol, monitor)
class(cg_t), intent(inout), target :: this
integer, intent(in) :: max_iter
Expand All @@ -79,12 +93,6 @@ subroutine cg_init(this, n, max_iter, M, rel_tol, abs_tol, monitor)

call this%free()

allocate(this%w(n))
allocate(this%r(n))
allocate(this%p(n, CG_P_SPACE))
allocate(this%z(n))
allocate(this%alpha(CG_P_SPACE))

if (present(M)) then
this%M => M
end if
Expand All @@ -108,37 +116,23 @@ subroutine cg_init(this, n, max_iter, M, rel_tol, abs_tol, monitor)

end subroutine cg_init

!> Deallocate a standard PCG solver
!> Free a CPU PCG solver.
subroutine cg_free(this)
class(cg_t), intent(inout) :: this

call this%ksp_free()

if (allocated(this%w)) then
deallocate(this%w)
end if

if (allocated(this%r)) then
deallocate(this%r)
end if

if (allocated(this%p)) then
deallocate(this%p)
end if

if (allocated(this%z)) then
deallocate(this%z)
end if

if (allocated(this%alpha)) then
deallocate(this%alpha)
end if
nullify(this%w)
nullify(this%r)
nullify(this%p)
nullify(this%z)
nullify(this%alpha)

nullify(this%M)

end subroutine cg_free

!> Standard PCG solve
!> Solve a linear system with the CPU PCG method.
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function cg_solve(this, Ax, x, f, n, coef, bc_projector, gs_h, niter) &
result(ksp_results)
class(cg_t), intent(inout) :: this
Expand All @@ -154,6 +148,8 @@ function cg_solve(this, Ax, x, f, n, coef, bc_projector, gs_h, niter) &
integer :: iter, max_iter, i, j, k, p_cur, p_prev, ierr
real(kind=rp) :: rnorm, rtr, rtz2, rtz1, x_plus(NEKO_BLK_SIZE)
real(kind=rp) :: beta, pap, norm_fac, tmp
type(host_array_t), pointer :: w_tmp, r_tmp, p_tmp, z_tmp, alpha_tmp
integer :: temp_indices(5)

Comment thread
timofeymukha marked this conversation as resolved.
if (present(niter)) then
max_iter = niter
Expand All @@ -162,6 +158,23 @@ function cg_solve(this, Ax, x, f, n, coef, bc_projector, gs_h, niter) &
end if
norm_fac = 1.0_rp / sqrt(coef%volume)

call neko_scratch_registry%request_host_array(w_tmp, temp_indices(1), &
n, .false.)
call neko_scratch_registry%request_host_array(r_tmp, temp_indices(2), &
n, .false.)
call neko_scratch_registry%request_host_array(p_tmp, temp_indices(3), &
n * CG_P_SPACE, .false.)
call neko_scratch_registry%request_host_array(z_tmp, temp_indices(4), &
n, .false.)
call neko_scratch_registry%request_host_array(alpha_tmp, &
temp_indices(5), CG_P_SPACE, .false.)

this%w => w_tmp%x
this%r => r_tmp%x
this%p(1:n, 1:CG_P_SPACE) => p_tmp%x

@njansson njansson Sep 3, 2026

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This makes me a bit nervous. Can't we add a rank-2 registry as well (@timfelle )?

@timfelle timfelle Sep 3, 2026

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Array reshaping like this seem to be completely standard in the fortran community, But sure we can easily add another host_array_t to the system. But explicitly for a host implementation the only difference between host_array_t and vector_t is a %x_d=C_NULL_PTR, so I actually don't think the host array thing makes a difference at all since it should never be active in a device build.

@timfelle timfelle Sep 3, 2026

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So my point is, you should probably just use a matrix_t here.

@njansson njansson Sep 3, 2026

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Array reshaping like this seem to be completely standard in the fortran community, But sure we can easily add another host_array_t to the system. But explicitly for a host implementation the only difference between host_array_t and vector_t is a %x_d=C_NULL_PTR, so I actually don't think the host array thing makes a difference at all since it should never be active in a device build.

standard, and working on compilers are different things, as we know ;) But sure let's give it a try

@timfelle timfelle Sep 3, 2026

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Sure, but we do it all over the place already, we just do it at subroutine interfaces, with out of bound indexing and such.

this%z => z_tmp%x
this%alpha => alpha_tmp%x

associate(w => this%w, r => this%r, p => this%p, &
z => this%z, alpha => this%alpha)
Comment on lines +161 to 179

@timfelle timfelle Sep 3, 2026

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Suggested change
call neko_scratch_registry%request_host_array(w_tmp, temp_indices(1), &
n, .false.)
call neko_scratch_registry%request_host_array(r_tmp, temp_indices(2), &
n, .false.)
call neko_scratch_registry%request_host_array(p_tmp, temp_indices(3), &
n * CG_P_SPACE, .false.)
call neko_scratch_registry%request_host_array(z_tmp, temp_indices(4), &
n, .false.)
call neko_scratch_registry%request_host_array(alpha_tmp, &
temp_indices(5), CG_P_SPACE, .false.)
this%w => w_tmp%x
this%r => r_tmp%x
this%p(1:n, 1:CG_P_SPACE) => p_tmp%x
this%z => z_tmp%x
this%alpha => alpha_tmp%x
associate(w => this%w, r => this%r, p => this%p, &
z => this%z, alpha => this%alpha)
call neko_scratch_registry%request(this%w, temp_indices(1), n, .false.)
call neko_scratch_registry%request(this%r, temp_indices(2), n, .false.)
call neko_scratch_registry%request(this%z, temp_indices(4), n, .false.)
call neko_scratch_registry%request(this%alpha, temp_indices(5), CG_P_SPACE, .false.)
call neko_scratch_registry%request(p_tmp, temp_indices(3), &
n * CG_P_SPACE, .false.)
this%p(1:n, 1:CG_P_SPACE) => p_tmp%x
associate(w => this%w%x, r => this%r%x, p => this%p%x, &
z => this%z%x, alpha => this%alpha%x)


Expand All @@ -185,6 +198,8 @@ function cg_solve(this, Ax, x, f, n, coef, bc_projector, gs_h, niter) &
ksp_results%iter = 0
if (abscmp(rnorm, 0.0_rp)) then
ksp_results%converged = .true.
nullify(this%w, this%r, this%p, this%z, this%alpha)
call neko_scratch_registry%relinquish_host_array(temp_indices)
return
end if

Expand Down Expand Up @@ -254,6 +269,8 @@ function cg_solve(this, Ax, x, f, n, coef, bc_projector, gs_h, niter) &
end if
end do
end associate
nullify(this%w, this%r, this%p, this%z, this%alpha)
call neko_scratch_registry%relinquish_host_array(temp_indices)
call this%monitor_stop()
ksp_results%res_final = rnorm
ksp_results%iter = iter
Expand All @@ -280,7 +297,7 @@ subroutine second_cg_part(rtr, r, mult, w, alpha, n)

end subroutine second_cg_part

!> Standard PCG coupled solve
!> Solve three independent systems with the CPU PCG method.
function cg_solve_coupled(this, Ax, x, y, z, fx, fy, fz, &
n, coef, bc_projector, gs_h, niter) result(ksp_results)
class(cg_t), intent(inout) :: this
Expand Down
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