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Thread: LAMMPS (scientific software), how to build

  1. #1

    Default LAMMPS (scientific software), how to build


    I'm a linux newbie and for school/work I have to use a program called LAMMPS.

    I wish to install it at my computer here @home, so I can work with it not only at school.

    However, this stuff is very advanced and I'm a total linux beginner.
    Read this first: Building LAMMPS can be non-trivial. You may need to edit a makefile, there are compiler options to consider, additional libraries can be used (MPI, FFT, JPEG), LAMMPS packages may be included or excluded, some of these packages use auxiliary libraries which need to be pre-built, etc.

    Please read this section carefully. If you are not comfortable with makefiles, or building codes on a Unix platform, or running an MPI job on your machine, please find a local expert to help you. Many compiling, linking, and run problems that users have are often not LAMMPS issues - they are peculiar to the user's system, compilers, libraries, etc. Such questions are better answered by a local expert.
    If you have a build problem that you are convinced is a LAMMPS issue (e.g. the compiler complains about a line of LAMMPS source code), then please post a question to the LAMMPS mail list.
    If you succeed in building LAMMPS on a new kind of machine, for which there isn't a similar Makefile for in the src/MAKE directory, send it to the developers and we can include it in the LAMMPS distribution.
    Can someone guide me trough the process, step by step?

    Take your time, I'm not in a hurry. It's only for next year that I need it.

    So if some people can say what I have to do as a first step, I thank you! You don't have to type it all at once.
    Step by step, will be fine.

  2. #2
    Join Date
    Jun 2008
    Earth - Denmark

    Default Re: LAMMPS (scientific software), how to build

    On 04/11/2013 06:16 PM, Waxterz wrote:
    > You don't have to type it all at once.

    i can't help you, but whoever might be able to will (as a first step
    in trying) wish you to type, all at once your operating system and
    version.....and, if using a desktop environment: which and version..


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