itensor/itensorgpu.jl

⚠️ WARNING
The ITensorGPU.jl package is deprecated and only provided for backwards compatibility. For an alternative, see the ITensors.jl documentation about running ITensor on GPUs.

itensorgpu.jl's Issues

Simplify tests

[ITensorGPU] [BUG] DMRG with quantum number conservation not working

Description of bug

I tried to run the code from https://itensor.github.io/ITensors.jl/dev/tutorials/QN_DMRG.html on a GPU using ITensorGPU.jl and encountered an error where the dimensions of the dims of the tensors in the Hamiltonian did not coincide with the arrays inside the Hamiltonian itself.

(Click me) Minimal runnable code

julia> using ITensors, ITensorGPU

julia> let
         N = 100
         sites = siteinds("S=1",N;conserve_qns=true)

         ampo = OpSum()
         for j=1:N-1
           ampo += "Sz",j,"Sz",j+1
           ampo += 1/2,"S+",j,"S-",j+1
           ampo += 1/2,"S-",j,"S+",j+1
         end
         H = MPO(ampo,sites)

         state = [isodd(n) ? "Up" : "Dn" for n=1:N]
         psi0 = productMPS(sites,state)

         sweeps = Sweeps(5)
         setmaxdim!(sweeps, 10,20,100,100,200)
         setcutoff!(sweeps, 1E-10)

         energy, psi = dmrg(cu(H),cu(psi0), sweeps) # Note the use of cu here

         return energy
         end

Expected output or behavior

I expected this to produce the same answer as the CPU version

Actual output or behavior

It errored.

Output of minimal runnable code

flux(psi0) = QN("Sz",0)
ERROR: DimensionMismatch("new dimensions (5, 3, 3) must be consistent with array size (13,)")
Stacktrace:
  [1] reshape(a::CUDA.CuArray{Float64, 1, CUDA.Mem.DeviceBuffer}, dims::Tuple{Int64, Int64, Int64})
    @ CUDA ~/.julia/packages/CUDA/5jdFl/src/array.jl:665
  [2] reshape
    @ ./reshapedarray.jl:116 [inlined]
  [3] permute!(B::NDTensors.DenseTensor{Float64, 3, Tuple{Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}}, NDTensors.Dense{Float64, CUDA.CuArray{Float64, 1, CUDA.Mem.DeviceBuffer}}}, A::NDTensors.DenseTensor{Float64, 3, Tuple{Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}}, NDTensors.Dense{Float64, CUDA.CuArray{Float64, 1, CUDA.Mem.DeviceBuffer}}})
    @ ITensorGPU ~/.julia/dev/ITensors/ITensorGPU/src/tensor/cudense.jl:532
  [4] ITensor/ITensors.jl#1
    @ ~/.julia/dev/ITensors/ITensorGPU/src/tensor/cudense.jl:61 [inlined]
  [5] permutedims!!
    @ ~/.julia/dev/ITensors/ITensorGPU/src/tensor/cudense.jl:65 [inlined]
  [6] permutedims!!
    @ ~/.julia/dev/ITensors/ITensorGPU/src/tensor/cudense.jl:63 [inlined]
  [7] permutedims
    @ ~/.julia/dev/ITensors/NDTensors/src/dense.jl:438 [inlined]
  [8] permutedims
    @ ~/.julia/dev/ITensors/src/itensor.jl:1686 [inlined]
  [9] _permute(as::NDTensors.NeverAlias, T::NDTensors.DenseTensor{Float64, 3, Tuple{Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}}, NDTensors.Dense{Float64, CUDA.CuArray{Float64, 1, CUDA.Mem.DeviceBuffer}}}, new_inds::Tuple{Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}})
    @ ITensors ~/.julia/dev/ITensors/src/itensor.jl:1691
 [10] permute(as::NDTensors.NeverAlias, T::ITensor, new_inds::Tuple{Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}})
    @ ITensors ~/.julia/dev/ITensors/src/itensor.jl:1695
 [11] #permute#219
    @ ~/.julia/dev/ITensors/src/itensor.jl:1676 [inlined]
 [12] permute(T::ITensor, new_inds::Tuple{Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}, Index{Vector{Pair{QN, Int64}}}})
    @ ITensors ~/.julia/dev/ITensors/src/itensor.jl:1661
 [13] permute(M::MPO, #unused#::Tuple{typeof(linkind), typeof(siteinds), typeof(linkind)})
    @ ITensors ~/.julia/dev/ITensors/src/mps/dmrg.jl:14
 [14] #dmrg#954
    @ ~/.julia/dev/ITensors/src/mps/dmrg.jl:45 [inlined]
 [15] dmrg(H::MPO, psi0::MPS, sweeps::Sweeps)
    @ ITensors ~/.julia/dev/ITensors/src/mps/dmrg.jl:41
 [16] top-level scope
    @ REPL[3]:21
 [17] top-level scope
    @ ~/.julia/packages/CUDA/5jdFl/src/initialization.jl:52

Version information

• Output from versioninfo():

julia> versioninfo()
Julia Version 1.7.0-rc2
Commit f23fc0d27a (2021-10-20 12:45 UTC)
Platform Info:
  OS: Linux (x86_64-linux-gnu)
  CPU: AMD Ryzen Threadripper 2990WX 32-Core Processor
  WORD_SIZE: 64
  LIBM: libopenlibm
  LLVM: libLLVM-12.0.1 (ORCJIT, znver1)
Environment:
  JULIA_NUM_THREADS = 26

• Output from using Pkg; Pkg.status("ITensors"):

(@v1.7) pkg> st ITensors
      Status `~/.julia/environments/v1.7/Project.toml`
  [9136182c] ITensors v0.3.10 `~/.julia/dev/ITensors`

(@v1.7) pkg> st ITensorGPU
      Status `~/.julia/environments/v1.7/Project.toml`
  [d89171c1] ITensorGPU v0.0.5 `~/.julia/dev/ITensors/ITensorGPU`

(@v1.7) pkg> st NDTensors
      Status `~/.julia/environments/v1.7/Project.toml`
  [23ae76d9] NDTensors v0.1.37 `~/.julia/dev/ITensors/NDTensors`

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