[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.


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