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

Laurence Marks laurence.marks at gmail.com
Thu Jul 25 20:22:17 CEST 2019


How much RAM do you have?

It sounds to me as if on your system the active memory is being paged out,
i.e. you are using swap space and/or you have issues with cached memory not
being released. If you only have 1 9Gb file then there should be no
problem; if you have many there might be. You may want to try
lapw2_vector_split:2 if you are using mpi.

Since nobody else to my knowledge has reported a similar problem, and I for
one have never seen anything similar it seems to be very specific to
whatever you are doing and your OS.

I suspect some incorrect OS parameters, maybe some noisy memory and/or disc.

On Thu, Jul 25, 2019 at 7:12 PM Luc Fruchter <luc.fruchter at u-psud.fr> wrote:

> So, my understanding of the situation is that lapw1 may create .vector
> files that are larger than the amount of memory needed by the lapw1 step.
> At the lapw2 step, the program must handle these files with less memory
> than needed, hence these physical / cached unefficient readings.
> This sounds annoying, as one cannot immediately detect the memory need
> for the case, from a try with the beginning of a scf cycle, as I use to do.
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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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