[CP2K:686] Re: seed number
teodor... at gmail.com
Tue Feb 5 13:59:36 UTC 2008
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
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
The only thing I can suggest you is to use another method for
localization.. have a look at:
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?
>> On 5 Feb 2008, at 12:16, mine wrote:
>>> Can someone inform me about seed number?- Alıntıyı gizle -
>> - Alıntıyı göster -
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