Comments (5)
For future reference:
julia> versioninfo()
Julia Version 1.8.0-rc3
Commit 33f19bcbd25 (2022-07-13 19:10 UTC)
Platform Info:
OS: macOS (arm64-apple-darwin21.3.0)
CPU: 8 × Apple M1
WORD_SIZE: 64
LIBM: libopenlibm
LLVM: libLLVM-13.0.1 (ORCJIT, apple-m1)
Threads: 8 on 4 virtual cores
Environment:
JULIA_NUM_THREADS = 8
from molly.jl.
Thanks for reporting. Looks like it might be an issue with Chemfiles.jl. Could you try Pkg.add("Chemfiles")
and using Chemfiles
?
from molly.jl.
(@v1.8) pkg> add Chemfiles
Resolving package versions...
No Changes to `~/.julia/environments/v1.8/Project.toml`
No Changes to `~/.julia/environments/v1.8/Manifest.toml`
julia> Pkg.add("Chemfiles"); using Chemfiles
Resolving package versions...
No Changes to `~/.julia/environments/v1.8/Project.toml`
No Changes to `~/.julia/environments/v1.8/Manifest.toml`
ERROR: InitError: UndefVarError: libchemfiles not defined
Stacktrace:
[1] chfl_version
@ ~/.julia/packages/Chemfiles/QiqBE/src/generated/cdef.jl:19 [inlined]
[2] version
@ ~/.julia/packages/Chemfiles/QiqBE/src/Chemfiles.jl:36 [inlined]
[3] __init__()
@ Chemfiles ~/.julia/packages/Chemfiles/QiqBE/src/Chemfiles.jl:145
[4] _include_from_serialized(pkg::Base.PkgId, path::String, depmods::Vector{Any})
@ Base ./loading.jl:831
[5] _require_search_from_serialized(pkg::Base.PkgId, sourcepath::String, build_id::UInt64)
@ Base ./loading.jl:1039
[6] _require(pkg::Base.PkgId)
@ Base ./loading.jl:1315
[7] _require_prelocked(uuidkey::Base.PkgId)
@ Base ./loading.jl:1200
[8] macro expansion
@ ./loading.jl:1180 [inlined]
[9] macro expansion
@ ./lock.jl:223 [inlined]
[10] require(into::Module, mod::Symbol)
@ Base ./loading.jl:1144
during initialization of module Chemfiles
from molly.jl.
Looks like a Chemfiles issue that others have run into too: chemfiles/Chemfiles.jl#56.
Hopefully there will be resolution soon on the linked issue, I will keep this issue open as this does stop Molly working on M1 chips.
from molly.jl.
As mentioned on the other issue, this should be fixed in Chemfiles 0.10.3.
from molly.jl.
Related Issues (20)
- Links in Docs are broken HOT 2
- Boltzmann Constant in LAMMPS 'real' units does not work HOT 5
- AtomsBase not properly implemented HOT 4
- GPU error with custom pairwise interactions HOT 5
- Inconsistent Units Crash Simulation HOT 5
- apply_coupling! method is not found for custom coupling function HOT 2
- Example for new MC membrane barostat HOT 12
- How to cite? HOT 6
- [feature request] velocity-dependent forces HOT 2
- Should we pass more properties (e.g. velocities, step number) to `force`/`potential_energy`? HOT 4
- Should we have functions to add and remove atoms to/from a `System`? HOT 3
- open an sdf file HOT 10
- Molly.jl: AD with Enyzme returns 0 gradient HOT 1
- Units in Nose Hoover temperature HOT 1
- GPU error with the example HOT 4
- return type for force for pairwise potential in CUDA HOT 1
- sys.coords does not work as Vector{Vector} HOT 2
- EAM implementation and dimension error HOT 5
- Boundary Conditions HOT 1
- UndefVarError: `σ6` not defined ERROR when simulating the NPT ensemble HOT 1
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from molly.jl.