Dear Antonio, > pw 2.* sometimes crashes when we use k points paralization with neb.
you should provide the input that makes the code to crash. I have been using neb with parallelization on k-points for a long time and I've never had troubles. > My questions: > > 1) How to use image paralization? (some example of input file) for image parallelization just use mpirun -np N pw.x -nimage M -in input > output Of course M < N and M < num_of_images. Much better if M is a whole divisor of num_of_images. > 2) is 3.* affected by this bug? Maybe, since the "bug" has never been spotted before. > 3) Is it possible to convert 2.* path file to 3.* path files for a > restart? I think so: just remove the section "QUICK-MIN FIELDS" in the path file and restart. > 4) Is 4 processors for pool and as pools as k-points the best > performance achieving setup? It is impossible to give a general answer: it depends on both the system size and on the computer you are using. However, I already posted a similar message a couple of months ago (http://www.democritos.it/pipermail/pw_forum/2006-March/003803.html) . carlo
