Dear Siesta users, I put together a script package, which aims to simplify everyday work with simulation codes and ssh. The main goal is to provide a collection of bash wrapper functions. Currently siesta (and denchar) and vasp is supported as a runner. Scheduler (sge,slurm,pbs) submission is also supported and it is independed of the queue system.
If you are interested please check out the manual: http://surphy.fat.bme.hu/blog/node/38 and the code: http://github.com/hornos/shpak Hi Diego, it saves files to the current directory. With our scripts it is possible to specify a temporary work directory as well. Regards, Tamas Hornos, PhD 2010/10/7 Diego Cortes Arriagada <[email protected]>: > Hello > > I am a new user of siesta. I would like to know if siesta saves temporary > files in any folder during the development of a calculation, in order to > checking the status of calculation > > Thanks In advance . > > -- > Diego Cortés A. > Laboratorio de Química Teórica > Facultad de Química y Biología > USACH > 7181138 > 08-2034358 >
