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


From: Patrick Goetz <pgoetz@...7023...>
Date: Thu, 3 Aug 2017 10:23:58 -0500

Hi -

The documentation for compiling LAMMPS is fairly comprehensive and can be found here:

   http://lammps.sandia.gov/doc/Section_start.html

If you don't have a lot of experience compiling and working with Make files I suggest you find a local expert to help you.


On 08/03/2017 09:25 AM, Neda Rafiee via lammps-users wrote:
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... <mailto:akohlmey@...24...>> wrote:



    On Thu, Aug 3, 2017 at 9:32 AM, Neda Rafiee
    <ne.rafiee@...444... <mailto: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...
        <mailto:akohlmey@...24...>> wrote:



            On Thu, Aug 3, 2017 at 4:58 AM, Neda Rafiee via lammps-users
            <lammps-users@lists.sourceforge.net
            <mailto:lammps-users@lists.sourceforge.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...
            <mailto:akohlmey@...24...> http://goo.gl/1wk0
            College of Science & Technology, Temple University,
            Philadelphia PA, USA
            International Centre for Theoretical Physics, Trieste. Italy.





-- Dr. Axel Kohlmeyer akohlmey@...24... <mailto: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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