[Pw_forum] Error in davcio running head.x

[Valentina Cantatore]

Dear QE users,

I have finally found a solution for the error in davcio with head.x. I
found that this kind of error is produced only when using US or PAW
pseudopotential but not while using NORMCONS. I suppose that the .prd files
that are produced while running head.x with US or PAW are not produced in
the NORMCONS case. Do you have any suggestion to solve this problem?

Thank you for your help.

Valentina Cantatore
PostDoc at Università del Piemonte Orientale, Alessandria

2014-10-22 8:41 GMT+02:00 Valentina Cantatore <valecantatore at gmail.com>:

> Actually reducing the cutoffs was the solution to my previous problem, but
> it was an error in davcio in pw4gww.
> The same solution doesn't work here with head.x. Do you suggest that there
> is a problem related to the disk space?
>
> Thank you
>
> 2014-10-22 7:29 GMT+02:00 Paolo Giannozzi <paolo.giannozzi at uniud.it>:
>
>> On Tue, 2014-10-21 at 18:22 +0200, Valentina Cantatore wrote:
>>
>>
>> > The program stops with the error:
>> > "Error in routine davcio (25): error while writing from file
>> > "*/./out/_ph0/*.prd38".
>> >
>> > I had a similar problem with a calculation on a molecular system and
>> > you suggested me to reduce the cutoffs. It worked in that case.
>>
>> I seriously doubt that it worked because you reduced the cutoff.
>> The I/O should write no mater what the cutoff is, as long as there
>> is enough disk space and file size does not exceed the allowed
>> maximum length
>>
>> Paolo
>>
>> > Now I have significantly reduce them but I have the same problem. I
>> > use Quantum Espresso 5.1 and I work with 64 CPUs.
>> >
>> >
>> > I attach the input files for the pwx calculation and for the head one.
>> >
>> >
>> > Any help will be really appreciated.
>> >
>> >
>> > Thank you very much
>> >
>> >
>> > Valentina Cantatore
>> > PostDoc at Università del Piemonte Orientale, Alessandria
>> > _______________________________________________
>> > Pw_forum mailing list
>> > Pw_forum at pwscf.org
>> > http://pwscf.org/mailman/listinfo/pw_forum
>>
>> --
>> 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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>
>
>
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