[Pw_forum] problem in relaxation by using bfgs

[Paolo Giannozzi]

On Dec 22, 2006, at 11:52 , Javad hashemifar wrote:

> In fact I was using 2 processors for my job. But the interesting
> point is that when about 2 hours ago I repeated calculation of
> one case on 4 processors (with exactly the same input parameters
> as before) the mentioned error message did not appear any more
> and system relaxed completely and correctly.

could you please provide your job? Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy