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

[Pavel Ondračka]

The easiest solution to reduce memory pressure is to reduce the number
of k-points run in parallel... You should experiment with other
parallelization options. If running 4 kpoints in parallel does not fit
in your memory (or is slow), try to run for example just with two but
with 2 OpenMP threads per process. Using MPI is another option and also
reduces memory required per CPU.

On Fri, 2019-07-26 at 09:37 +0100, Laurence Marks wrote:
> 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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