[QE-users] Energy calculation terminates by itself

Pooja Vyas poojavyas1251995 at gmail.com
Mon Feb 3 08:26:24 CET 2020


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
>
>
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