include("common.jl") using TensorOperations, KrylovKit, LinearAlgebra, CUDA, cuTENSOR, NVTX @enum Hamiltonian_backend cpu_tensor gpu_cutensor "A Hamiltonian that can be applied to a vector" struct Hamiltonian{T} s::system{T} K::Union{CuTensor{Complex{T}}, Matrix{Complex{T}}} Vs::Union{Array{Complex{T}}, CuArray{Complex{T}}} hermitian::Bool mode::Hamiltonian_backend function Hamiltonian{T}(s::system{T}, V_twobody::Function, ϕ::Real, n_image::Int, mode::Hamiltonian_backend) where {T<:Float} @assert mode != gpu_cutensor || CUDA.functional() && CUDA.has_cuda() && CUDA.has_cuda_gpu() "CUDA not available" hermitian = ϕ == 0.0 Vs = calculate_Vs(s, V_twobody, convert(T, ϕ), n_image) k = -s.N÷2:s.N÷2-1 ∂ = ∂_1DOF.(Ref(s), k, k') K = exp(-2im * convert(T, ϕ)) .* (∂ * ∂) # TODO: Calculate K matrix elements directly if mode == gpu_cutensor K = CuTensor(K, ['a', 'A']) Vs = CuArray(Vs) end return new{T}(s, K, Vs, hermitian, mode) end end Base.size(H::Hamiltonian, i::Int)::Int = (i == 1 || i == 2) ? H.s.N^(H.s.d * (H.s.n - 1)) : throw(ArgumentError("Hamiltonian only has 2 dimesions")) Base.size(H::Hamiltonian)::Dims{2} = (size(H, 1), size(H, 2)) "Dimensions of a vector to which 'H' can be applied" vectorDims(H::Hamiltonian)::Dims = tuple(fill(H.s.N, H.s.d * (H.s.n - 1))...) "Apply 'H' on 'v' and store the result in 'out' using the 'cpu_tensor' backend" function LinearAlgebra.mul!(out::Array{Complex{T}}, H::Hamiltonian{T}, v::Array{Complex{T}})::Array{Complex{T}} where {T<:Float} #LinearMaps.check_dim_mul(out,H,v) --- dimensions don't match # apply V operator @. out = H.Vs * v # apply K opereator coords = H.s.n - 1 nconList_v_template = -collect(1:H.s.d*(coords)) for dim = 1:H.s.d for coord = 1:coords i = which_index(H.s, dim, coord) nconList_K = [-i, 1] nconList_v = copy(nconList_v_template) nconList_v[i] = 1 v_new = @ncon((H.K, v), (nconList_K, nconList_v)) coeff = -1 / (2 * H.s.μs[coord]) out = axpy!(coeff, v_new, out) end end return out end "cuTENSOR contraction and accumulation (C = A * B + C)" function contract_accumulate!(alpha::Numer, C::CuTensor, A::CuTensor, B::CuTensor)::CuTensor cuTENSOR.contraction!(alpha, A.data, A.inds, cuTENSOR.CUTENSOR_OP_IDENTITY, B.data, B.inds, cuTENSOR.CUTENSOR_OP_IDENTITY, one(eltype(C)), C.data, C.inds, cuTENSOR.CUTENSOR_OP_IDENTITY, cuTENSOR.CUTENSOR_OP_IDENTITY) return C end "Apply 'H' on 'v' and store the result in 'out' using the 'gpu_cutensor' backend" function LinearAlgebra.mul!(out::CuArray{Complex{T}}, H::Hamiltonian{T}, v::CuArray{Complex{T}})::CuArray{Complex{T}} where {T<:Float} #LinearMaps.check_dim_mul(out,H,v) --- dimensions don't match ctx = context() # apply V operator NVTX.@range "V" @. out = H.Vs * v synchronize(ctx) # apply K opereator coords = H.s.n - 1 inds_template = ('a' - 1) .+ collect(1:H.s.d*(coords)) v_t = CuTensor(v, copy(inds_template)) out_t = CuTensor(out, copy(inds_template)) for dim = 1:H.s.d for coord = 1:coords i = which_index(H.s, dim, coord) @assert v_t.inds == inds_template "v indices permuted" @assert H.K_diag.inds[2] == 'A' "K_diag indices permuted" H.K.inds[1] = 'a' - 1 + i v_t.inds[i] = 'A' #synchronize(ctx) coeff = -1 / (2 * H.s.μs[coord]) NVTX.@range "K" out_t = contract_accumulate!(coeff, out_t, H.K, v_t) v_t.inds[i] = 'a' - 1 + i end end @assert out_t.inds == inds_template "out indices permuted" synchronize(ctx) return out_t.data end "Apply 'H' on 'v' and return the result" function (H::Hamiltonian)(v) out = similar(v) return mul!(out, H, v) end tolerance = 1e-6 "Wrapper for KrylovKit.eigsolve" function eig(H::Hamiltonian{T}, levels::Int; resonances = !H.hermitian)::Tuple{Vector,Vector,KrylovKit.ConvergenceInfo} where {T<:Float} if H.mode == cpu_tensor x₀ = rand(Complex{T}, vectorDims(H)...) elseif H.mode == gpu_cutensor x₀ = CUDA.rand(Complex{T}, vectorDims(H)...) synchronize() end evals, evecs, info = eigsolve(H, x₀, levels, resonances ? :LI : :SR; ishermitian = H.hermitian, tol = tolerance, krylovdim = levels * 8) info.converged < levels && throw(error("Not enough convergence")) if H.hermitian evals = real.(evals) end if H.mode == gpu_cutensor # to avoid possible GPU memory leak CUDA.reclaim() GC.gc(true) end return evals, evecs, info end