On Sun, 13 Jul 2008, alan chen wrote: AC> Dear PWSCF users, AC> In my calculation, I set wfcdir to be '/scratch' in order to save disk AC> space. I have found some xxx.igk files are dumped in the scratch direction. AC> I have two questions. AC> 1) I have a few jobs running at the same time. Unfortunately they have the AC> same 'prefix' so that these xxx.igk files may overwrite each other. Does AC> that matter? Does the code read in these files?
yes, it matters. that is the reason for 'prefix' in the first place. i'm usually too paranoid for just using 'prefix' and alway create separate directories for each job in the scratch using the jobid string from the batch system (which is guaranteed to be unique in the cluster and i don't have to worry about somebody else accidentally having created a file that would have the same name as mine). AC> 2) Recently when I calculate large jobs, I got the following error message: AC> 'input statement requires too much data, unit 16, file AC> /home1/hc336/scratch/IF-relax.igk19'. Does that mean the xxx.igk19 file is AC> too large for the code to read in? how should we know? nobody here can read the mind of your computer(s). what is the exact sequence of actions/inputs to reproduce this? cheers, axel. AC> AC> Thank you very much. AC> AC> Hanghui AC> Department of Physics AC> Yale University AC> -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
