[QE-users] Error in routine cft_1z (3) stopped in DFTI_NUMBER_OF_TRANSFORMS

[Paolo Giannozzi]

On Wed, Jan 6, 2021 at 7:46 PM Daniel Marchand <daniel.marchand at gmail.com>
wrote:

> I'm trying again, it's not very clear to me why my files are being
> rejected.
>

if (epfl ) problems_with_attachments=.true.

I don't know why you get that error: it should not happen, but it must be
related to the rather extreme kind of parallelization you are using. You
are parallelizing over plane waves and FFTs on 27 processors, for a small
unit cell with many k-points. The code will be much faster with k-point
parallelization only.

Paolo


>
> -----------------
> Daniel Marchand daniel.marchand at gmail.com
> Ph.D candidate EDMX EPFL
>
> On Wed, Jan 6, 2021 at 1:34 PM Daniel Marchand <daniel.marchand at gmail.com>
> wrote:
>
>> Sorry, it looks like my attachment was flagged. I am trying again now
>> with individual files.
>>
>> Daniel
>>
>>
>> -----------------
>> Daniel Marchand daniel.marchand at gmail.com
>> Ph.D candidate EDMX EPFL
>>
>>
>> On Wed, Jan 6, 2021 at 1:32 PM Daniel Marchand <daniel.marchand at epfl.ch>
>> wrote:
>>
>>> Sorry, it looks like my attachment was flagged. I am trying again now
>>> with individual files.
>>>
>>> Daniel
>>>
>>>
>>> -----------------
>>> Daniel Marchand daniel.marchand at gmail.com
>>> Ph.D candidate EDMX EPFL
>>>
>>> On Tue, Jan 5, 2021 at 2:28 PM Daniel Marchand <
>>> daniel.marchand at gmail.com> wrote:
>>>
>>>> Hi QE people,
>>>>
>>>> I'm hitting an unusual error, which I have never seen before and can't
>>>> find any trace of in the mailing archive list. I'm not quite sure what I'm
>>>> doing wrong. The settings I'm using seem reasonable, and for most of my
>>>> calculations, they are fine. Yet, for a certain minority of my
>>>> calculations, I get a complete failure with the error message in the title.
>>>> If anyone has any insights, it would be much appreciated. I have copied the
>>>> inputs/outputs of the calculation.
>>>>
>>>> Best,
>>>>
>>>> Daniel
>>>>
>>>>
>>>>
>>>>
>>>> -----------------
>>>> Daniel Marchand daniel.marchand at gmail.com
>>>> Ph.D candidate EDMX EPFL
>>>>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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