[Pw_forum] Error in davcio running pw4gww

[Valentina Cantatore]

Thank you very much for the answer. If I well understand it the problem comes out from the size of the system, right? Because I have the same problem with a larger periodic system. I generally run these calculations on 64 cpus. Are they too few?



> Il giorno 13/ott/2014, alle ore 18:10, Paolo Giannozzi <paolo.giannozzi at uniud.it> ha scritto:
> 
> On Fri, 2014-10-10 at 12:13 +0200, Valentina Cantatore wrote:
> 
> 
>> I'm trying to get used with gw calculations and I'm running test with
>> a small, nonperiodic system
> 
> not small enough for my PC. Anyway, with (much) smaller cutoffs and
> cell, I don't get any (obvious) problem.
> 
> P.
> 
>> . According to the manual I need to run first of all a scf calculation
>> followed by a pw4gww run.
>> 
>> 
>> The pw4gww run stops early giving error:
>> "Error in routine davcio (99):
>> error while reading from file "../.._whole50""
>> 
>> 
>> Can you give me some hints about this problem? I attach my two inputs
>> files.
>> 
>> 
>> Thank you very much.
>> 
>> 
>> Valentina Cantatore
>> PostDoc at Università del Piemonte Orientale, Alessandria 
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> 
> -- 
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222 
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> <gww.out>
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