Hi, Without more information we can't help,
1) compiler and library versions 2) your arch.make 3) your input files Den tir. 17. nov. 2020 kl. 22.01 skrev D. Bennett <db...@cam.ac.uk>: > Dear siesta users, > > I'm running some calculations using a parallel version of siesta-psml, > and I'm finding that some of them are crashing during the SCF loop. > Things seem to go fine, and then I get a message like > > ------------------------------------------------------- > Primary job terminated normally, but 1 process returned > a non-zero exit code.. Per user-direction, the job has been aborted. > ------------------------------------------------------- > -------------------------------------------------------------------------- > mpirun detected that one or more processes exited with non-zero status, > thus causing > the job to be terminated. The first process to do so was: > > Process name: [[48394,1],3] > Exit code: 174 > -------------------------------------------------------------------------- > > but it isn't apparent from the output file why the crash occured. > Usually I just re-run the jobs and eventually they finish without > crashing, but I'm working on a large set of calculations and I'd rather > not have to babysit them all. Has anyone else had a similar experience, > or does anyone have any suggestions on how I could find what is causing > the problem? I suspect it could be to do with memory, mainly because > there aren't any other signs of anything else going wrong. > > Thanks in advance, > > Danny Bennett > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > -- Kind regards Nick
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
