[Wien] Problems when running in a cluster

[Peter Blaha]

> I am trying to run a calculation with a 35 atoms AlN supercell (one Al atom
> is missing). When I run the calculation in a laptop, everything goes well.
> The initialization runs fine, no warnings, no problems. I used a small
> value for Rmt*Kmax in order to speed up the calculation, as my intention
> running in the laptop was just to check that everything is ok. Then, I try
> to run the same calculation (exactly the same: I just copy the input file)
> in a remote LINUX cluster (not a parallel calculation). All the
> initialization runs perfectly: all the files are created without any
> problem and everything goes well. But then, at the beginning of the scf
> cycle, the calculation crashes. No error messages, no indication
> whatsoever. I only find a lapw0.error file with a brief message “Error in
> lapw0”. That’s all. No dayfile, no scf file, nothing. The command I send to
Try to use interactively:   lapw0 lapw0.def
Probably it gives some message like "segmetation fault" or something similar.

Make sure the "limits" on this computer (stacksize, memory usage,...) are set
to infinity. Please search the mailing list for similar problems and solutions.

                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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