[Pw_forum] Problem

[Konstantin Kudin]

 I am not sure if this is the same thing, but anyway ... 

 The version 2.0 at some point also got frozen in a similar way during
the step of reading wavefunction files from 'file', if those existed
only on some nodes but not the others.

 For example, if there were 8 nodes running (2 4-way boxes), and one of
them had *.wfc1, *.wfc2, *.wfc3, *.wfc4 on the local temporary space,
and the other node did NOT have *.wfc5-*.wfc8, then the code would get
frozen while trying to read the wavefunctions.

 Perhaps, somehow the nodes get moved around and the *.wfcN files do
not correspond to the earlier order?

 Kostya

--- Sergey Lisenkov <proffess at yandex.ru> wrote:

> Dear PWscf authors anf users,
> 
> After yersteday discussions about using local disks for temporary
> files I use them. But I got very strange problem. If I use more than
> 2 processors (1 nodes) after second step (see output) the code is
> frozen, but does not stop:
> ...
>      Total force =     0.014233     Total SCF correction =    
> 0.001033
> 
>      Entering Dynamics:    iteration =     2
>                            time      =   0.01162 pico-seconds
> 
> ATOMIC_POSITIONS (alat)
> Al       0.500000000   0.500000000  -2.118003560
> Al       0.000000000   0.000000000  -1.414499206
> Al       0.500000000   0.500000000  -0.706281386
> Al       0.000000000   0.000000000   0.000000000
> Al       0.500000000   0.500000000   0.706281386
> Al       0.000000000   0.000000000   1.414499206
> Al       0.500000000   0.500000000   2.118003560
> 
> 
>      kinetic energy (Ekin) =     0.00014120 Ry
>      temperature           =     2.12234919 K
>      Ekin + Etot (const)   =   -29.21994544 Ry
> 
>      Linear momentum :    0.0000000000    0.0000000000   
> 0.0000000000
> 
>      NEW-OLD atomic charge density approx. for the potential
> 
> 
> If I use NFS directory - no any problems. So, I wonder is it my
> problem (permissions,etc) or other? 
> 
>  thanks,
>    Regards,
>      Sergey
> _______________________________________________
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> 


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