Background information
Same problem occurs on a Mac and on a Linux data analysis workspace.
What were you doing?
I am trying to convert a LAMMPS trajectory using the MDAnalysis converter. The input file was over 1 GB.
What went wrong?
- The GUI is slow in responding. Once I have specified the trajectory file path and format, it already takes a long time to process. When I start editing the time step field, the GUI stops responding again.
- Once I press RUN, the value in the time step field gets reset to the default value. This is unexpected and makes it harder to test trajectories with different chunking, as the time step has to be input every time, and that's slow (see point 1).
Suggested fix (optional)
Most likely the input parsing is done on multiple widgets more than once. Since trajectory parsing is the most expensive part of setting up the converter, we should make sure it is only done when necessary. The input file widget should not try to read the trajectory again when the time step value is changed.
Additional details (optional)
N/A
Background information
Same problem occurs on a Mac and on a Linux data analysis workspace.
What were you doing?
I am trying to convert a LAMMPS trajectory using the MDAnalysis converter. The input file was over 1 GB.
What went wrong?
Suggested fix (optional)
Most likely the input parsing is done on multiple widgets more than once. Since trajectory parsing is the most expensive part of setting up the converter, we should make sure it is only done when necessary. The input file widget should not try to read the trajectory again when the time step value is changed.
Additional details (optional)
N/A