[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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