You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
I have compiled readuct for xtb and xtb.module.so was generated.
When I start readuct with the following YAML input file,
the program immediately stops with:
systems:
name: tsnew
path: benzene.xyz
program: xtb
method_family: GFN2
, ...
No SCINE module named 'Xtb' providing 'GFN2' is currently loaded.
Please add the module to the SCINE_MODULE_PATH
or load the corresponding Python module in order for it to be accessible.
terminate called after throwing an instance of 'std::runtime_error'
what(): Failed to load method/program.
In Python it works.
Best regards
Peter
The text was updated successfully, but these errors were encountered:
I have compiled readuct for xtb and xtb.module.so was generated.
When I start readuct with the following YAML input file,
the program immediately stops with:
systems:
path: benzene.xyz
program: xtb
method_family: GFN2
, ...
No SCINE module named 'Xtb' providing 'GFN2' is currently loaded.
Please add the module to the SCINE_MODULE_PATH
or load the corresponding Python module in order for it to be accessible.
terminate called after throwing an instance of 'std::runtime_error'
what(): Failed to load method/program.
In Python it works.
Best regards
Peter
The text was updated successfully, but these errors were encountered: