include("common.jl") using KrylovKit, LinearAlgebra, CUDA, CUDA.CUTENSOR @assert CUDA.functional() && CUDA.has_cuda() && CUDA.has_cuda_gpu() "CUDA not available" "A Hamiltonian that can be applied to a vector" struct HOperator{T} d::Int n::Int N::Int K_diag::CuTensor{Complex{T}} K_mixed::CuTensor{Complex{T}} Vs::CuArray{T} function HOperator{T}(V_twobody::Function, d::Int, n::Int, N::Int, L::T, μ::T, n_image::Int) where {T<:Float} k = -N÷2:N÷2-1 K_partial = (im / sqrt(2 * μ)) .* ∂_1DOF.(L, N, k, k') K_diag = CuTensor(CuArray(K_partial * K_partial), ['a', 'A']) K_mixed = CuTensor(CuArray(K_partial), ['a', 'A']) * CuTensor(CuArray(K_partial), ['b', 'B']) Vs = calculate_Vs(V_twobody, d, n, N, L, n_image) return new{T}(d, n, N, K_diag, K_mixed, Vs) end end Base.size(H::HOperator, i::Int)::Int = (i == 1 || i == 2) ? H.N^(H.d * (H.n - 1)) : throw(ArgumentError("HOperator only has 2 dimesions")) Base.size(H::HOperator)::Dims{2} = (size(H, 1), size(H, 2)) "Dimensions of a vector to which H can be applied" vectorDims(H::HOperator)::Dims = tuple(fill(H.N, H.d * (H.n - 1))...) "cuTENSOR contraction and accumulation (C = A * B + C)" function contract_accumulate!(C::CuTensor, A::CuTensor, B::CuTensor)::CuTensor # https://docs.nvidia.com/cuda/cutensor/api/cutensor.html#cutensorcontraction compute_type = if eltype(C) == ComplexF32 CUTENSOR.CUTENSOR_COMPUTE_TF32 elseif eltype(C) == ComplexF64 CUTENSOR.CUTENSOR_COMPUTE_64F else eltype(C) end CUTENSOR.contraction!(one(eltype(C)), 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, compute_type=compute_type) return C end "Apply H on v and store the result in out" function LinearAlgebra.mul!(out::CuArray{Complex{T}}, H::HOperator{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.n - 1 inds_template = ('a' - 1) .+ collect(1:H.d*(coords)) v_t = CuTensor(v, copy(inds_template)) out_t = CuTensor(out, copy(inds_template)) for dim = 1:H.d for coord1 = 1:coords for coord2 = 1:coord1 i1 = which_index(H.n, dim, coord1) i2 = which_index(H.n, dim, coord2) @assert v_t.inds == inds_template "v indices permuted" if i1 == i2 @assert H.K_diag.inds[2] == 'A' "K_diag indices permuted" H.K_diag.inds[1] = 'a' - 1 + i1 v_t.inds[i1] = 'A' #synchronize(ctx) NVTX.@range "K-diag" out_t = contract_accumulate!(out_t, H.K_diag, v_t) v_t.inds[i1] = 'a' - 1 + i1 else @assert H.K_mixed.inds[2] == 'A' && H.K_mixed.inds[4] == 'B' "K_mixed indices permuted" H.K_mixed.inds[1] = 'a' - 1 + i1 H.K_mixed.inds[3] = 'a' - 1 + i2 # OPTIMIZE: A and B can be swapped v_t.inds[i1] = 'A' v_t.inds[i2] = 'B' #synchronize(ctx) NVTX.@range "K-mixed" out_t = contract_accumulate!(out_t, H.K_mixed, v_t) v_t.inds[i1] = 'a' - 1 + i1 v_t.inds[i2] = 'a' - 1 + i2 end end 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::HOperator{T})(v::CuArray{Complex{T}})::CuArray{Complex{T}} where {T<:Float} out = similar(v) return mul!(out, H, v) end tolerance = 1e-6 "Wrapper for KrylovKit.eigsolve" function eig(H::HOperator{T}, levels::Int)::Tuple{Vector{T},Any,Any} where {T<:Float} x₀ = CUDA.rand(Complex{T}, vectorDims(H)...) # ... added synchronize() evals, evecs, info = eigsolve(H, x₀, levels, :SR; ishermitian = true, tol = tolerance) info.converged < levels && throw(error("Not enough convergence")) return real.(evals), evecs, info end