How to restart the amset calculation

AMSET
1

Dear Alex,
I have a question related to the restart of the calculation, Can I restart the amset calculation when it stops at some point or I need the start it scratch?

2

Hi Aamir,

Currently there isn’t a way to restart an amset calculation. I can look at adding this feature in the future but as it stands it is not on the road map.

If amset is running slowly for your, can I double check you are:

  1. Using the nworkers setting in the settings.yaml
  2. Including export OMP_NUM_THREADS=1 in your job script before calling amset run. This can often increase the speed of amset by 3-4 times.

Best,
Alex