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Re: [lammps-users] 回复: 回复: some questions about serial and parallel environments
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Re: [lammps-users] 回复: 回复: some questions about serial and parallel environments


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Thu, 6 Jul 2017 10:48:37 -0400

On Thu, Jul 6, 2017 at 10:30 AM, htc <619771202@...1204...> wrote:
> I perform a control-experiment.
> In another input,is ok whether i add this command or not.i mean i didnt need
> to delete any atoms in my experiment.
> I just add this command,and this command is delete no atoms.I run two
> simulations ,one of them add this command and the other is not.
> The result shows that the one which add the command goes wrong and the other
> is consist with my prediction under parallel environments(both are right
> under serial  environments).
>
> So in my initial input i use this command to delete atoms and i think that
> is why output goes wrong

two things:

1) you have to define "wrong" in this context. you are arguing in a
very non-scientific way here.
2) the only side effect from calling delete_atoms is that you trigger
a neighbor list build. if you have a simulation, where the correctness
of the output (whatever that means, see 1) depends on when neighbor
lists are updated, then you have likely other, very serious problems
in your input.

it is impossible to argue details without any kind of tangible
information let alone proof outside of your say-so.

axel.


> ------------------ 原始邮件 ------------------
> 发件人: "Axel Kohlmeyer";<akohlmey@...24...>;
> 发送时间: 2017年7月6日(星期四) 晚上10:15
> 收件人: "htc"<619771202@...1204...>;
> 抄送: "lammps-users"<lammps-users@lists.sourceforge.net>;
> 主题: Re: [lammps-users] 回复: some questions about serial and parallel
> environments
>
> On Thu, Jul 6, 2017 at 9:43 AM, htc <619771202@...1204...> wrote:
>>
>> I found that my problem is because of this command
>>
>> "region  del  block 49.0 51.0 49.0 51.0 -0.6 0.6
>> delete_atoms  region  del"
>>
>> if i delete this command,the problem will not emerge.
>> if i add this command and the result will be different.
>
> check your output and see, if the if the exact same number of atoms
> are deleted in the different cases.
>
> axel.
>
>>
>> Tian
>>
>>
>>
>>
>> On Tue, Jul 4, 2017 at 9:55 AM, htc <619771202@...1204...> wrote:
>>> if the results is different when i run the simulation under the serial
>>> and
>>> parallel  environments , and the result under the parallel
>>> environment(use
>>> 16 cores) is wrong, what is the most possible problem?
>>
>> the biggest possible problem _right now_ is, that your question is far
>> too vague and lacking any kinds of meaningful detail to give a useful
>> answer.
>>
>>
>>
>> axel.
>>
>>>
>>>
>>>
>>> ------------------------------------------------------------------------------
>>> Check out the vibrant tech community on one of the world's most
>>> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
>>> _______________________________________________
>>
>>>
>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer
>>
>>
>> ------------------------------------------------------------------------------
>> Check out the vibrant tech community on one of the world's most
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>>
>
>
>
> --
> Dr. Axel Kohlmeyer  akohlmey@...24...
>
> ------------------------------------------------------------------------------
> Check out the vibrant tech community on one of the world's most
> engaging tech sites, Slashdot.org! http://sdm.link/slashdot
> _______________________________________________
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>



-- 
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.