[CP2K:686] Re: seed number

Teodoro Laino teodor... at gmail.com
Tue Feb 5 14:59:36 CET 2008


Mine,

there's nothing hidden in seed numbers that could solve this problem..
The fact is that CRAZY for the localization is not a robust method  
and the implementation is possibly far less robust than the method  
itself ;-)

of course there should be a sort of control in that module to avoid   
these errors (well.. at least you don't get a segfault)..
I'm not responsible for that so I cannot help you with that specific  
problem..

The only thing I can suggest you is to use another method for  
localization.. have a look at:

http://cp2k.berlios.de/input/ 
InputReference~__ROOT__~FORCE_EVAL~DFT~PRINT~LOCALIZATION~LOCALIZE.html# 
METHOD

Cheers
Teo

On 5 Feb 2008, at 14:49, mine wrote:

>
> Dear Teo;
> I have some problems about my callculations. The output file gives me
> an error:
> error in cp_cfm_heevd_unable to diagonalize matrix
>
> 9 cp_cfm_heevd
> 8 crazy_rotations
> 7 qs_loc_compute_properties
> 6 scf_post_calculation
> 5 qs_energies
> 4 qs_forces
> 3 velocity_verlet
> 2 qs_mol_dyn2
> 1 CP2K
>
> CP2K stopped by process number
> CP2K Abnormal program termination
>
> So; I am thinking that seed number or other something may cause this
> error. I already thank you...
>
> Best wishes Mine...
>
>
>
> On 5 Şubat, 15:14, Teodoro Laino <teodor... at gmail.com> wrote:
>> Dear ??,
>>
>> tell us.. what would you like to know about seed numbers?
>>
>> Teo
>>
>> On 5 Feb 2008, at 12:16, mine wrote:
>>
>>
>>
>>
>>
>>> Can someone inform me about seed number?- Alıntıyı gizle -
>>
>> - Alıntıyı göster -
> >




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