[Pw_forum] error in mp module

[Paolo Giannozzi]

On Wednesday 02 February 2005 01:41, Paul Tangney wrote:

> There was a post about this error on January 18th but
> I don't see a solution posted.

I replied directly to the person who submitted the error,
hoping that nobody would run such a big calculation any
time soon...

> I am now getting an identical error [..] I looked at the code, 
> and I think what it tells me is that a parameter mp_msgsiz_max 
> (=100000000) is being exceeded. 

correct. There are a few checks in the code that a number is not
out of range, such as for instance larger than some arbitrarily 
defined  "unreasonably large" number. For instance, 5000 is
considered "unreasonably large" for a FFT grid dimension. I think 
that your charge density size is exceeding the "unreasonably
large" value. Just increase mp_msgsiz_max and recompile 
("make pw" or whatever you need): there shouldn't be any side 
effect.

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy