Colin, What kind of queuing system do you use, just out of curiosity? I've been using siesta - and other ab initio codes - in different queuing systems and never had problems with unix redirection or piping...
Nevertheless, siesta reads from standard input if the fdf file is not present - in this case I think you can enter the information "on the fly", although I have never tested it this way. I could be wrong but this feature must have been added by the group you have collaborated with. Cheers, Marcos On Wed, Jun 30, 2010 at 5:31 PM, Colin Bannister <[email protected]> wrote: > Hello, > > > > This seems a basic question, but I am struggling a bit to understand how > siesta works out where to get its input data from. > > > > The documentation states it reads from standard input, so to run it do > > > > siesta < INPUT.fdf > > > > This is how my latest compiled version works. > > > > HOWEVER I have another version I compiled a while ago which reads from > INPUT_FILE.fdf by default, but standard input if this file > > doesn’t exist. I built this in collaboration with a research group – is it > perhaps a slightly modified version, or has this feature existed in previous > versions of siesta ? It is actually a good feature for us, due to the way > we submit parallel jobs with use of wrapper scripts, which find the unix > re-direction (<) problematical. > > > > Grateful for any assistance! > > > > thanks, > > > > Colin > > > > Dr. Colin Bannister > > HPC Service Manager > Information Services > The University of Nottingham > Kings Meadow Campus > Lenton Lane > Nottingham NG7 2NR > > United Kingdom > > Tel: 44 115 9513326 > www: http://www.nottingham.ac.uk/~cczcb/ > > > > > > > > > > This message has been checked for viruses but the contents of an attachment > may still contain software viruses which could damage your computer system: > you are advised to perform your own checks. Email communications with the > University of Nottingham may be monitored as permitted by UK legislation.
