[Pw_forum] Fortran runtime error during scf in 4.0cvs3

[Paolo Giannozzi]

On Apr 17, 2008, at 20:13 , Yaser Rehem wrote:

> I upgraded to g95-0.91 and recompiled pwscf.  I still get the same
> error messages when attempted the scf with 6 processors.  I played a
> little and discovered that it runs fine with upto  4 processors, but
> fails when I attempt to use more than 4.

the problem exists only of the number of processors used in the
parallel subspace diagonalization (must be the square of an integer)
is not the same as the number of processor for R- and G-space
parallelization. So 4=2x2 is fine, 16=4x4 is also, 6 is not

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222