[Pw_forum] Problem with high accuracy and parallel ph.x

[Stefano de Gironcoli]

It might be a problem of memory or access to disk
I don't see anything of fundamentally different when you increase number 
of k points or cutoff.
stefano


On 06/30/2011 10:28 AM, Mohammad Saghayezhian wrote:
> Dear All,
>
> When I perform the scf calculation with high kp (45 45 45) and cut-off (42
> Ry), the parallel execution ph.x fails and stops (q-points in ph.in: 4 4 3).
> but lowering the kp (15 15 15) and cut-off (22 Ry) solves the problem and
> the parallel ph.x goes on without any problem. Does this mean that I can not
> calculate phonon spectra with this accuracy?
> Also, the calculations are for metals.
>
>
>> Dear PWscf users,
>>
>> I have encountered a problem during parallel execution of ph,x
>>
>> Actually the parallel pw,x performs good and without any error, but ph.x
> does not work,
>> I lowered the kpoints and kinetic-energy cut-off and the problem solved
> and ph.x works properly.
>> I need high accuracy in my calculation, so I cannot lower the kpoints and
> cut-off.
>> How can I perform parallel ph.x without lowering the computational
> parameters?
>> Any help would be appreciated.
>> Thanks.
>>
>> ------------------------------
> -------------------------------------
>> Mohammad Saghayezhian
>>
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> ---
> Stefano Baroni - SISSA&   DEMOCRITOS National Simulation Center - Trieste
> http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni
> (skype)
>
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