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
Is your feature request related to a problem? Please describe.
It would be very useful to be able to set the verbosity via a keyword in the qcshema interface. Running many xtb calculations in parallel for a prolonged period currently causes the output to leak to the terminal and eventually crash with an error caused by having too many open files.
Describe the solution you'd like
Change the qcschema interface to accept a verbosity keyword with options corresponding to the options here which then sets the verbosity of the calculation. If the verbosity is muted we can then avoid creating a temporary file as having too many of these causes the error.
Describe alternatives you've considered
Additional context
I can confirm that manually setting the verbosity to VERBOSITY_MUTED and removing the creation of the temporary file avoids the error.
The text was updated successfully, but these errors were encountered:
Is your feature request related to a problem? Please describe.
It would be very useful to be able to set the verbosity via a keyword in the qcshema interface. Running many xtb calculations in parallel for a prolonged period currently causes the output to leak to the terminal and eventually crash with an error caused by having too many open files.
Describe the solution you'd like
Change the qcschema interface to accept a
verbosity
keyword with options corresponding to the options here which then sets the verbosity of the calculation. If the verbosity is muted we can then avoid creating a temporary file as having too many of these causes the error.Describe alternatives you've considered
Additional context
I can confirm that manually setting the verbosity to
VERBOSITY_MUTED
and removing the creation of the temporary file avoids the error.The text was updated successfully, but these errors were encountered: