[Wien] iter. diag and scratch files
Francisco Garcia
garcia.ff.000 at gmail.com
Thu Dec 13 16:05:44 CET 2012
Dear users,
I am running iterative diagonalization calculations on very big slab
at a shared user computational facility. At the end of each run (the
max runtime is 48 hours) , I delete the scratch directory (whether or
not the job is converged). When I re-start the run, I create a new
scratch directory.
My question is the following: When running iterative diag.
calculations, should I keep the initial scratch directory (the scratch
directory created during the first run) intact and use it for
subsequent runs or it is okay to delete and make a new directory per
run as I have described above.
Thank you.
More information about the Wien
mailing list