[Pw_forum] PW taskgroups and a large run on a BG/P

[giannozz at democritos.it]

Quoting David Farrell <davidfarrell2008 at u.northwestern.edu>:

> I am trying to run a 1152 atom, 2560 electron pw MD system on a BG/P, 
>  and I believe I am running up against memory issues

set nbnd, diago_david_ndim, mixing_ndim to the smallest possible
values to save memory. Use the CVS version and try to compile scalapack 
(instructions in the wiki) if you have trouble with subspace 
diagonalization, or else use a smaller set of processors in the "ortho 
group": 1024 seems to me a lot for a system with O(1000) states.

Paolo

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