[Wien] lapw2c tries to read an anomalous amount of data

[Laurence Marks]

If I remember right, the largest piece of memory is the vector file so this
should be a reasonable estimate.

During the scf convergence you can reduce this by *carefully* changing the
numbers at the end of case.in1(c). You don't really need to go to 1.5 Ryd
above E_F (and similarly reduce nband for ELPA). For DOS etc later you
increase these and rerun lapw1 etc.

On Fri, Jul 26, 2019 at 9:27 AM Luc Fruchter <luc.fruchter at u-psud.fr> wrote:

> Yes, I have shared memory. Swap on disk is disabled, so the system must
> manage differently here.
>
> I just wonder now: is there a way to estimate the memory needed for the
> lapw2s, without running scf up to these ? Is this the total .vector size ?
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: www.numis.northwestern.edu/MURI
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
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