Thanks all, I know about the implicit restart. I am running the jobs through a queue system which the max runtime is set. I have found out the hard way that the jobs are not safely killed. Had the misfortune of having a sigterm during the writing of my DM (TSDE) file.
Which is why I was wondering if there was a way to set max runtime. Nonetheless, an easy workaround for me would be to manually make a backup copy of the density matrix file before the max job time is reached. Regards, Aaron -------------------------------------------------------- Aaron Thong PhD research student Department of Materials B321 Desk 20 Imperial College London -------------------------------------------------------- On 24 Nov 2015, at 13:17, Nick Papior wrote: no, there isn't, siesta has implicit restart files XV and DM files. Read the manual about these two files. 2015-11-24 13:59 GMT+01:00 Thong, Aaron <[email protected]<mailto:[email protected]>>: Hi all, I couldn't find an option to set the max runtime for jobs in the input file. Is there such an option available to safely kill (trans)siesta jobs after x time? Regards, Aaron -- Kind regards Nick
