Thank you for your reply. I recheck the manual ant notice that flag DM.UseSaveDM to use the DM from the last calculation.
It seems that siesta has not the function to stop the calcuation after the next interation by creating a file like .stop, or before the interation, the program will check whether there is file like .stop, if not, the calculation will continue. 2010/7/23 Marcos Veríssimo Alves <[email protected]> > There are flags to use the data from the calculation which hasn't finished, > check the manual. One of them is UseSaveData, but you can control which > files you wish Siesta to use in continuation to an unfinished job. > > Cheers, > > Marcos > > > On Fri, Jul 23, 2010 at 12:49 AM, Bin Shao <[email protected]> wrote: > >> Dear all users, >> >> I'm a new user of siesta 2.0.2. I'd like to ask how to stop and continue >> the calculation, for I submitted a job to a cluster and it hasn't finished >> in the request time. >> >> Thank you in advanced! >> >> Best, >> >> -- >> Bin Shao >> College of Information Technical Science, Nankai University >> 94 Weijin Rd. Nankai Dist. Tianjin 300071, China >> Email: [email protected] >> > > -- Bin Shao College of Information Technical Science, Nankai University 94 Weijin Rd. Nankai Dist. Tianjin 300071, China Email: [email protected]
