[QE-users] Energy calculation terminates by itself

[Paolo Giannozzi]

No, it's not an input parameter of QE. Try to run your job on a different
machine.

PG

On Mon, Feb 3, 2020 at 8:27 AM Pooja Vyas <poojavyas1251995 at gmail.com>
wrote:

> I even tried reducing my k-points from 11*11*11 to 3*3*3. but still the
> run gets terminated with signal 9 error.
>
> On Mon, Feb 3, 2020 at 12:55 PM Pooja Vyas <poojavyas1251995 at gmail.com>
> wrote:
>
>> Respected sir,
>> I don't have any idea about the time limit which you are talking about.
>> Is it any parameter of the QE input file?
>>
>>
>> On Mon, Feb 3, 2020 at 12:53 PM Paolo Giannozzi <p.giannozzi at gmail.com>
>> wrote:
>>
>>> Yes, but it is much larger than that (115 days). I was referring to a
>>> maximum limit set by your batch queue system, or by your operating system.
>>>
>>> Paolo
>>>
>>> On Mon, Feb 3, 2020 at 5:32 AM Pooja Vyas <poojavyas1251995 at gmail.com>
>>> wrote:
>>>
>>>> Respected sir,
>>>> Is there any default value of time after which the run can terminate by
>>>> itself?
>>>>
>>>> On Mon, Feb 3, 2020 at 3:29 AM Paolo Giannozzi <p.giannozzi at gmail.com>
>>>> wrote:
>>>>
>>>>> On Sat, Feb 1, 2020 at 11:12 AM Pooja Vyas <poojavyas1251995 at gmail.com>
>>>>> wrote:
>>>>>
>>>>>      total cpu time spent up to now is    72841.4 secs
>>>>>> [...]
>>>>>>
>>>>> Primary job  terminated normally, but 1 process returned
>>>>>> a non-zero exit code. Per user-direction, the job has been aborted.
>>>>>>
>>>>> [...]
>>>>>> What could be the reason for this termination?
>>>>>>
>>>>>
>>>>> time limit exceeded?
>>>>> --
>>>>> 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
>>>>>
>>>>> _______________________________________________
>>>>> Quantum ESPRESSO is supported by MaX (
>>>>> www.max-centre.eu/quantum-espresso)
>>>>> users mailing list users at lists.quantum-espresso.org
>>>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>>>
>>>> _______________________________________________
>>>> Quantum ESPRESSO is supported by MaX (
>>>> www.max-centre.eu/quantum-espresso)
>>>> users mailing list users at lists.quantum-espresso.org
>>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>>
>>>
>>>
>>> --
>>> 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
>>>
>>> _______________________________________________
>>> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso
>>> )
>>> users mailing list users at lists.quantum-espresso.org
>>> https://lists.quantum-espresso.org/mailman/listinfo/users
>>
>> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 
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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