[Pw_forum] v5.0.2 phcg error (out of memory?)

[weeliat]

Hi Prof,

Thanks for your reply.  I will try to recompile with those flags.

As a side note, I have tried two other test cases.
1. I tried running my system on 1 processor with 110 GB memory. Phcg.x gave the same error.
2. Changed all potentials from the original PBE to LDA (pz-hgh).  Phcg.x is running with these LDA potentials.
3.  Reduced my system from 112 to 12 atoms but used the same PBE for the respective species.  This reduced the required memory by a lot but Phcg.x gave the same error.


Thanks,

wee liat


On Sunday, June 29, 2014 4:49 AM, Paolo Giannozzi <paolo.giannozzi at uniud.it> wrote:
 


On Thu, 2014-06-26 at 18:48 -0700, weeliat wrote:

> 
> phcg.x:69448 terminated with signal 11 at PC=4bf379 SP=7fffa63067a0.
>  Backtrace:
> /home-research/espresso/bin/phcg.x(gradrho_+0x3c9)[0x4bf379]

> The scf calculation run well with no errors.  I wonder if it is a PP
> problem or out of memory issue?

it is impossible to know without some further info. The error is in
subroutine "gradrho". If you recompile with debug flags on (-g or
something similar) you may discover the exact line number where the
error happens

Paolo

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222 
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