Thank you for the response, By running many, I mean on the order of 100-1000 individual pp.x inputs run in series from a looping script. I'm using ILDOS through many small energy intervals to generate spatial maps of the LDOS for a system. I've tried looking at PDOS boxes as an alternative, since I am interested in getting better energy resolution than spatial resolution, but I had some difficulty understanding how to generate boxes for the specific spatial locations I was interested in. Maybe there is an easier way to accomplish this?
I will try running on just one processor, perhaps that is the issue. I will also consult with the administrators for the cluster I am using. Thank you again, Hank Seeley On 2015/10/26 03:24, Giovanni Cantele wrote: > I would say that not enough information is included in your message. > > What do you mean with “running many of them”? Maybe including several > pp.x > executions in a single submission file for a queuing system? In the > case, it might be > that the problem is not with pp.x but with the system where you are > running it, or else > that you are using too many cpus for the execution that requires just > one (for example > several weeks ago it was reported a similar problem running average.x > on many cpus, that > was simply solved by running it on just one cpu). > > Giovanni > > >> On 25 Oct 2015, at 01:59, Henry J Seeley <[email protected]> wrote: >> >> Dear Users, >> >> I've been using pp.x to obtain ILDOS/PDOS/PSI^2 information, and I'm a >> little surprised by how long it takes for the processing to finish. >> I've >> used a variety of the pp.x features, and although each pp.x takes only >> a >> couple minutes to finish, when running many of them to obtain >> specialty >> information I find myself waiting days. >> The processing gets stuck between the outputs: >> >> " negative rho (up, down): 1.581E-03 0.000E+00" >> >> and >> >> " negative rho (up, down): 1.581E-03 0.000E+00". >> >> I'm sorry if this isn't enough information to solve this issue, but >> I'm >> hoping this is a simple fix for something I'm overlooking. >> >> Thank you for your help, >> Hank Seeley >> PhD student, chemistry >> University of Oregon >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
