On Tue, May 07, 2013 at 09:29:42PM +0200, Paolo Giannozzi wrote: > On Tue, 2013-05-07 at 20:57 +0200, Henning Glawe wrote: > > > QE/iotk creates one directory per k-point, with only one small file > > (eigenval.xml) contained in it. > > have you tried option "lkpoint_dir"?
Not yet, thanks for the hint. I'll try on the next 1000 materials and see if the situation improves. Is this compatible to all postprocessing codes, such as dos.x and pp.x and the phonon code ph.x? > > Are there any plans to move away from the 'many-small-files' paradigm? > > plans for a better I/O abound. People implementing them are less > abundant. Yes, I can imagine; most of us are more forced to get research done, and code improvement is not valued too much :( On the other hand, the subject of IO is quite complicated, as one both has to keep in mind the 'local' vs. 'shared' scratch compatibilities... The only parts of espresso I worked on so far are 'simple' postprocessing tasks, so I don't have any experience regarding direct iotk interaction yet. -- Mit freundlichen Gr??en Henning Glawe Max-Planck-Institut f?r Mikrostrukturphysik Weinberg 2, 06120 Halle (Saale), Germany http://www.mpi-halle.de/~theory Phone: +49-345-5582-613 Fax: +49-345-5511223 Email: glawe at mpi-halle.de
