[CP2K:3079] Matrix operations 2

Urban Borštnik urban.b... at gmail.com
Wed Feb 2 22:02:55 UTC 2011


On Wed, 2011-02-02 at 09:58 -0800, Andrey wrote:
> [...]
> 1) How can I output the ks_matrix and rho_ao matrices to analyse them?

You can use the cp_dbcsr_print subroutine, e.g.,
CALL cp_dbcsr_print (matrix_a, matlab_format=.TRUE.,&
               variable_name="matrix_a", error=error)

> 2) What type of error may lead to such sort of crash?

I do not know in this case.  Do you have a more specific trace of where
the segfault occurs?  Does it always occur?

Best regards,

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