[Wien] Estimating the memory needed by a job
Kevin.Jorissen at ua.ac.be
Wed Sep 24 10:50:41 CEST 2003
How can I estimate the resources a wien-job will need?
Eg., Siteconfig tells us about 1 Gb of memory is needed to use
nmatmax=10000. This seems logical : a double precision real matrix of
dimension N consists of 8*N*N = 8 10^8 bytes (and twice as much for a
complex matrix, obviously).
But how about other parameters, eg., NUME?
When I compile with increased nume (eg 2500 instead of 2000 in my case)
I am not able to run lapw1 anymore; I get crashes like
Allocate error 494: Allocation of Array with extent of 28065960 failed
End of diagnostics
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