Re: [lammps-users] problem with "fix thermal/conductivity"

[Neda Rafiee <ne.rafiee@...444...>]

Dear Axel ,

Could you please explain with more details what I should do for re-compiling Lammps? Is there anything I could do before making lammps? any change in ./configure? Currently, I installed the 24Jul2017 Development version of lammps from this link:
http://lammps.sandia.gov/download.html
I will be thankful if you can explain what I should do to update this version. Is there any updated source file I can try or any repository, etc?

Regards,

Neda

On Thu, Aug 3, 2017 at 6:18 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:

On Thu, Aug 3, 2017 at 9:32 AM, Neda Rafiee <ne.rafiee@...444...> wrote:

Dear Axel,

Thanks a lot. Actually, after I checked with "lmp_mpi -h",  I understood that I don't have thermal/conductivity among the fix styles in my compilation folder. I should say that I installed Lammps on my institutional cluster so I cannot update it because of administrative laws. What can I do now to make it work?

​there is no alternative to re-compiling LAMMPS.​

 

Thanks

On Thu, Aug 3, 2017 at:09 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:

On Thu, Aug 3, 2017 at 4:58 AM, Neda Rafiee via lammps-users <lammps-users@...42...e.net> wrote:

Dear all,

I have a problem with the style of "fix  thermal/conductivity". When I use this command, this error appears:  "unknown fix style thermal/conductivity"

I checked the mailing list archive and I found that the problem may be due to the MISC package. 
So, I used "make package-status" and I saw that both MISC and USER-MISC packages are installed. what would be my problem then?

​having the package installed is only one prerequisite. ​you also have to have updated your compilation and have to actually use that updated binary.

you can verify that, by looking at the output of ./lmp_mpi -h in your compilation folder and compare that to the output that you get when you a -h flag to your simulation run command. also, these days, you have to watch out for non-ascii characters, e.g. when you cut-n-paste text verbatim from the manual, as many pdf viewers and webbrowsers have a tendency to replace certain ascii characters with similar looking non-ascii versions for a more visually appealing text rendering.

axel.

 

Thanks

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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.

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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.