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Re: [lammps-users] Quesiton about shock test
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Re: [lammps-users] Quesiton about shock test


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 27 Apr 2018 20:45:56 -0400

On Fri, Apr 27, 2018 at 8:39 PM, Khourshaei Shar, Ali
<akhoursh@...6666...> wrote:
> Hi Axel,
>
>
> Thanks for your kind comments, helps, and supports. Actually even using
> Tersoff pair-style ended up with some error as follow:
>
>
> ERROR: Lost atoms: original 17024 current 17022 (../thermo.cpp:442)

yes, but that is a very different error with a different cause.
obviously, your simulation settings are not suitable for your system
and simulation conditions.
this error message is discussed in the manual and many, many times on
this mailing list.

> I attached a small video of the system during loading. I wonder if you could
> please comment on it.

do *not* send around large attachments without being asked. this is
rather useless in this specific case.
instead, you should spend more time researching the cause of the error
message. as i mentioned, this is well understood, so you should find
many suggestions and explanations.
just dumping every problem to the mailing list without showing any
effort to resolve it yourself will lower your chances that somebody is
providing help.

axel.

> Thanks,
> Ali
>
> ________________________________
> From: Axel Kohlmeyer <akohlmey@...24...>
> Sent: Friday, April 27, 2018 6:28:57 PM
> To: Khourshaei Shar, Ali
> Cc: lammps-users@lists.sourceforge.net
> Subject: Re: [lammps-users] Quesiton about shock test
>
> On Fri, Apr 27, 2018 at 6:02 PM, Khourshaei Shar, Ali
> <akhoursh@...6666...> wrote:
>> Dear Lammps users,
>>
>> Hi,
>>
>>
>> I'm doing a shock test using " fix    msst all msst x 113 q 2 tscale 0.1
>> mu
>> 1e-03 " using tersoff/table potential. However, after a while it gives me
>> the error:
>>
>>
>> ERROR on proc 5: Too many neighbors for interaction list: 65 vs 64.
>> Check your system or increase 'leadingDimensionInteractionList'
>> (../pair_tersoff_table.cpp:151)
>>
>> I checked the lammps community. I know in "
>>
>> https://urldefense.proofpoint.com/v2/url?u=http-3A__lammps.sandia.gov_threads_msg21604.html&d=DwIBaQ&c=kbmfwr1Yojg42sGEpaQh5ofMHBeTl9EI2eaqQZhHbOU&r=yHk4n55JH-8POYrYXkO3rTxHW3XBn5rpl8AWJtuSyq4&m=yiUNFUeqYxckB0gOJ3399pyKz2DJdM-_Ofif7uYEhZQ&s=d8wOprM2BJE7qcck2ILd73TelSOWgruNSJH-Kp2__38&e=
>> " people discussed about it.
>> But, it didn't work for my case. I attached diagram of pressure,
>> temperature
>> , and density in case it is helpful.
>
> that discussion has *nothing* to do with the error you are seeing. you
> are running into a static limit of the tersoff/table pair style. just
> switch to the regular tersoff pair style.
>
> axel.
>
>
>>
>> Thanks,
>> Ali
>>
>>
>>
>>
>>
>> ------------------------------------------------------------------------------
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>>
>
>
>
> --
> Dr. Axel Kohlmeyer  akohlmey@...24...
> https://urldefense.proofpoint.com/v2/url?u=http-3A__goo.gl_1wk0&d=DwIBaQ&c=kbmfwr1Yojg42sGEpaQh5ofMHBeTl9EI2eaqQZhHbOU&r=yHk4n55JH-8POYrYXkO3rTxHW3XBn5rpl8AWJtuSyq4&m=yiUNFUeqYxckB0gOJ3399pyKz2DJdM-_Ofif7uYEhZQ&s=-OLWQmQMWYzLxjfDzQjeAeacXELULHBTA9sLWGkycXE&e=
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.



-- 
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.