[Pw_forum] igk files

[Paolo Giannozzi]

alan chen wrote:

> 1) I have a few jobs running at the same time. Unfortunately they have 
> the same 'prefix' so that these xxx.igk files may overwrite each other. 
> Does that matter? Does the code read in these files?

if you have more than one k-point, it reads them during
self-consistency. Otherwise, at the end, but only when
collecting wavefunctions, IIRC. In any case, you should
never run two jobs in the same scratch directory with the
same file names.

> 2) Recently when I calculate large jobs, I got the following error 
> message: 'input statement requires too much data, unit 16, file 
> /home1/hc336/scratch/IF-relax.igk19'.

it looks like one process is trying to read data overwritten by
another process. Not good.

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy