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Re: [lammps-users] Report bug on Thermo
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Re: [lammps-users] Report bug on Thermo


From: Stefan Paquay <stefanpaquay@...24...>
Date: Tue, 1 May 2018 11:42:12 -0400

I don't think this is an issue. In fact, it's a feature. You don't want your simulation to have to wait for frequent writes to disk, do you?
If you want to have it print immediately, there is an option to make the thermo output flush after every write called "flush". Check the docs here: http://lammps.sandia.gov/doc/thermo_modify.html
However, unlike with toilets, there is a good reason to not flush in general.

On Mon, Apr 30, 2018 at 2:48 PM, Lu Wang <mm229196@...1064...278...> wrote:
The data appear in the log file during simulation, but with a few delays, say, 100 timesteps.

How can I remove this issue?



On Mon, Apr 30, 2018 at 11:02 PM, Diaz,Adrian <adriandiaz@...1447...> wrote:

Does all the output actually appear eventually? if it doesn't appear even when the job is done then it is another matter entirely. 


From: Lu Wang <mm229196@...7278...>
Sent: Monday, April 30, 2018 2:19:58 PM
To: Diaz,Adrian; LAMMPS Users Mailing List

Subject: Re: [lammps-users] Report bug on Thermo
 
How should I fix this issue?


On Mon, Apr 30, 2018 at 10:34 PM, Diaz,Adrian <adriandiaz@...36.....1447...> wrote:

9/10 times this is just a preference of your system buffer; on the supercomputer I submit I explicitly have to tell it to deliver information to the standard output with "2>&1" appended to the end of the shell command. On the other hand any other file such as a fix will release information on the requisite time-steps regardless.  If you're input file is correct, which we don't know, there are still a million reasons this could happen with your job submission.


From: Axel Kohlmeyer <akohlmey@...24...>
Sent: Monday, April 30, 2018 1:51:24 PM
To: Lu Wang
Cc: LAMMPS Users Mailing List
Subject: Re: [lammps-users] Report bug on Thermo
 
On Mon, Apr 30, 2018 at 1:24 PM, Lu Wang <mm229196@...7278...> wrote:
> I'm using the recently released version.
> I've set thermo to print data every 10 steps. But, nothing is appeared in
> the log.lammps until at least 100 steps progress in the simulation.
> So, where is the issue?

let me repeat:

however, it is impossible to say anything specific without knowing
which LAMMPS version you are using exactly, and seeing your input script.


with that in mind:

- "recently released" doesn't specify the version. there are stable
and unstable version. the proper and unique description of the version
of LAMMPS is the date it prints out.
- when you describe your input, you tell me your interpretation what
you think you did. i want to see *exactly* what you did and
*everything*.

considering, that you are not even able to follow very simple
instructions, it is not far fetched to assume, that there is something
in your input, that conflicts with what you claim you are doing.

axel.

>
> On Mon, Apr 30, 2018 at 9:50 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:
>>
>> On Mon, Apr 30, 2018 at 12:32 PM, Lu Wang <mm229196@...7278...> wrote:
>> > Dear LAMMPS developers
>> >
>> > I want to print all thermo data in the log.lammps as appeared in the
>> > linux
>> > terminal. But, only those associated with minimization is written.
>> > What's
>> > the problem?
>>
>> the problem is likely not with LAMMPS, but somewhere between your
>> chair and your keyboard.
>>
>>
>> axel
>>
>> >
>> > Thanks in advance
>> >
>> >
>> > ------------------------------------------------------------------------------
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>> > https://urldefense.proofpoint.com/v2/url?u=https-3A__lists.sourceforge.net_lists_listinfo_lammps-2Dusers&d=DwICAg&c=pZJPUDQ3SB9JplYbifm4nt2lEVG5pWx2KikqINpWlZM&r=SlEk-uQTWtidkuXSRgwfkNoZ7UQziaigd_WQGbfxNfc&m=22CofA6zjquwOL0h9JFoKeStEbUwnLXY3Lx7W0IjGYs&s=AfCrc6eJmdUvVRQBj3Q3mc04H1gkzx3gb1NKejapzoE&e=
>> >
>>
>>
>>
>> --
>> Dr. Axel Kohlmeyer  akohlmey@...24...  https://urldefense.proofpoint.com/v2/url?u=http-3A__goo.gl_1wk0&d=DwICAg&c=pZJPUDQ3SB9JplYbifm4nt2lEVG5pWx2KikqINpWlZM&r=SlEk-uQTWtidkuXSRgwfkNoZ7UQziaigd_WQGbfxNfc&m=22CofA6zjquwOL0h9JFoKeStEbUwnLXY3Lx7W0IjGYs&s=w9kTU-ylhUl8ekJ9nf0C__1EZuTtbxdaAt1BtdKfLF8&e=
>> College of Science & Technology, Temple University, Philadelphia PA, USA
>> International Centre for Theoretical Physics, Trieste. Italy.
>
>



--
Dr. Axel Kohlmeyer  akohlmey@...24...  https://urldefense.proofpoint.com/v2/url?u=http-3A__goo.gl_1wk0&d=DwICAg&c=pZJPUDQ3SB9JplYbifm4nt2lEVG5pWx2KikqINpWlZM&r=SlEk-uQTWtidkuXSRgwfkNoZ7UQziaigd_WQGbfxNfc&m=22CofA6zjquwOL0h9JFoKeStEbUwnLXY3Lx7W0IjGYs&s=w9kTU-ylhUl8ekJ9nf0C__1EZuTtbxdaAt1BtdKfLF8&e=
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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