[Wien] Estimating the RAM

[Peter Blaha]

nmat=10000, real case:    The H matrix has 10^4 *10^4 elements, one element is stored
in 8 bytes  ~ 10^9 bytes = 1 GB.

We need probably 50 % or so more (for eigenvectors and other arrays).

Without inversion (complex case), you need twice as much memory.

PS: more exact values:  take a know case and look at a "top" command while lapw1 is running.

Am 11.06.2013 14:30, schrieb Luis Ogando:
> Dear WIEN2k community,
>
>     Is there any way to estimate (even roughly) the RAM that will be required in a calculation using the "x lapw1 -nmat_only" result (or any other command) ?
>     Many thanks,
>                  Luis
>
>
>
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-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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