[Pw_forum] Problem

Sergey Lisenkov proffess at yandex.ru
Fri Dec 3 18:07:23 CET 2004


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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