On Julia 1.12.1
nested task error: BoundsError: attempt to access 1-element Vector{Tuple{MVector{1, Float64}, Vector{MVector{3, Float64}}}} at index [2]
I haven't tested other Julia versions or on different hardware, so it may be something else besides the version - but probably a safe guess.
Removing @threads from empirical_potential.jl seems to fix the issue and all tests pass.
|
function _perform_pairwise(f::Function, s::AbstractSystem, p::EmpiricalPotential, data::T) where {T<:Tuple} |
I have not investigated this very much, but it may be an instance of:
https://julialang.org/blog/2023/07/PSA-dont-use-threadid/#fixing_buggy_code_which_uses_this_pattern
On Julia 1.12.1
I haven't tested other Julia versions or on different hardware, so it may be something else besides the version - but probably a safe guess.
Removing
@threadsfrom empirical_potential.jl seems to fix the issue and all tests pass.InteratomicPotentials.jl/src/types/empirical_potential.jl
Line 20 in 87af2bf
I have not investigated this very much, but it may be an instance of:
https://julialang.org/blog/2023/07/PSA-dont-use-threadid/#fixing_buggy_code_which_uses_this_pattern