TroubleshootingΒΆ

symptom

cause

fix

A command and a trajectory file are required / exit 2

Missing positional

seams read FILE

unknown command / exit 2

Not read / chill / chill-plus / cages / rdf

chill_plus is an alias of chill-plus

bad --types / exit 2

Not I,J

seams rdf FILE --types 1,2

nop 0

Wrong type or empty file

--type 2 on TIP4P, --type 1 on mW; other mixed dumps need the species integer (Ionic-liquid dumps)

Neighbours miss a pair across a sheared face

Bound spans treated as lx, ly, lz

The dump tilt is enough; the engine recovers H (Sheared cells)

chemfiles: disabled and .pdb fails

Flake / no chemfiles

Default pixi lock, or a Meson build that finds chemfiles

.con fails

readcon-core off

Enable in a Meson build that can see it; the flake does not fetch the wrap

--jobs does nothing useful

OpenMP off

seams --features

ModuleNotFoundError: pydseams

Wrong repository

PydSEAMSlib, not pixi run in seams-core

Looking for yodaStruct -c lua_inputs/config.yml

2020 executable

seams here; Lua library in yodaStruct

seams: command not found

Binary not on PATH

After pixi run build / meson compile -C bbdir the binary is ./bbdir/seams. Install with pixi run install or meson install

Meson rejects -Dwith_python=true or -Dwith_lua=enabled

Bindings are other repos

Build PydSEAMSlib or yodaStruct; engine Meson is -Dwith_python=false

Wrap pin / nodownload miss

Flake does not fetch wrap-git

Pins live in subprojects/ (linkcell v0.3.1, vesin v0.5.7, readcon-core v0.14.0, gpulite). The flake uses mesonAutoFeatures=disabled and wrap nodownload

When you file an issue, include seams --version, seams --features, the command line, and a minimal dump.