I have a set of DFT results to which I have fit a well converged CE. Now I would like to enumerate a lot of superstructure energies using this CE. Usually I let maps run for a while and this results in a densely populated predstr.out file. But this time I find that the number of entries in predstr.out never exceeds over 24, even after maps has run for over two days. This is a search in only 2d, so I wonder if that is causing the problem. I do notice that when I start polling, then the number of predicted structures do start to increase. But my intention is to use the current CE without any new structures. Any suggestions on what might be happening here? Maybe I just need to wait longer…
You can force (m)maps to populate the internal list of structures with the -g=[nb of atoms] option on the command.
Otherwise, (m)maps only generates them on a "need to know" basis.
Be patient: the time needed will grow exponentially with the number of atoms…
Do you have adress your problem? My issue is something like yours. I put several results in the directory, and then invoke the maps -d command. After the word "done" appear, there will be sevearl results, however, I only found 1 predicted energy in my predstr.out. What is the reason?