[Pw_forum] prob with cp-wf

[Paolo Giannozzi]

Somesh Kumar Bhattacharya wrote:

> The calculation fails on cineca machines. I don't have any other machine 
> to test it. 

it's too big to be run on a desktop pc. You should first of all
find out if the memory is sufficient.

> Secondly, I can run a similar calculation of a single H2O molecule in 
> serial on a desktop. However, when I try to do the same single molecule 
> H2O on a parallel version,  it gives the same segmentation error.

how do you know it is "the same"? There are 1001 reasons that can
lead to a segmentation fault, insufficient memory being the most
obvious.

Anyway: please provide a small test that can be run on a desktop PC

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy