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documentation:build:lammps [2018/02/14 18:48] frey created |
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| - | ====== Build from source: LAMMPS ====== | ||
| - | Start by setting-up a properly-versioned directory hierarchy for LAMMPS builds. For example: | ||
| - | |||
| - | <code bash> | ||
| - | $ mkdir -p ~/sw/lammps | ||
| - | $ cd ~/sw/lammps | ||
| - | $ mkdir attic | ||
| - | </code> | ||
| - | |||
| - | The ''attic'' directory is used to hold downloaded source packages, etc. I can download the latest LAMMPS stable source by visiting the [[http://lammps.sandia.gov/download.html|official downloads page]] and getting a "tarball" of the latest stable release. This usually downloads as ''lammps-stable.tar.gz'' which is slightly annoying because it doesn't cite the release date (so every release you download uses the same filename). When I upload the source to ''~/sw/lammps/attic'' I rename it: at the time of writing, the stable release is 11 August 2017, so I rename the file ''lammps-20170811.tar.gz'' to make that clear: | ||
| - | |||
| - | <code bash> | ||
| - | $ cd ~/sw/lammps | ||
| - | $ ls -l attic | ||
| - | total 117944 | ||
| - | -rw-r--r-- 1 frey cadmin 120774006 2018-02-14 13:42 lammps-20170811.tar.gz | ||
| - | </code> | ||
| - | |||
| - | Create a directory to hold the new version you are building. The name should include the release (version or date, etc.) and any special features worth mentioning. In this case, we'll be building against the Altix's standard //mpt// MPI library without any special options: | ||
| - | |||
| - | <code bash> | ||
| - | $ cd ~/sw/lammps | ||
| - | $ mkdir 20170811 | ||
| - | $ ls -l . | ||
| - | total 0 | ||
| - | drwxr-xr-x 2 frey cadmin 6 2018-02-14 13:45 20170811 | ||
| - | drwxr-xr-x 2 frey cadmin 35 2018-02-14 13:42 attic | ||
| - | </code> | ||
| - | |||
| - | Next, unpack the source code inside the version directory just created: | ||
| - | |||
| - | <code bash> | ||
| - | $ cd 20170811 | ||
| - | $ tar -zxf ../attic/lammps-20170811.tar.gz | ||
| - | $ ls -l | ||
| - | total 0 | ||
| - | drwxr-xr-x 10 frey cadmin 132 2017-08-11 14:19 lammps-11Aug17 | ||
| - | </code> | ||
| - | |||
| - | The directory structure we promote will have all the executables, libraries, etc. installed in the ''20170811'' directory; I typically rename the source code directory ''src'' rather than whatever name the program author(s) used: | ||
| - | |||
| - | <code bash> | ||
| - | $ mv lammps-11Aug17 src | ||
| - | $ cd src | ||
| - | $ ls -l . | ||
| - | total 100 | ||
| - | drwxr-xr-x 5 frey cadmin 4096 2017-08-11 14:18 bench | ||
| - | drwxr-xr-x 5 frey cadmin 104 2017-08-11 14:23 doc | ||
| - | drwxr-xr-x 60 frey cadmin 4096 2017-08-11 14:18 examples | ||
| - | drwxr-xr-x 23 frey cadmin 4096 2017-08-11 14:18 lib | ||
| - | -rw-r--r-- 1 frey cadmin 17775 2017-07-24 10:58 LICENSE | ||
| - | drwxr-xr-x 2 frey cadmin 4096 2017-08-11 14:18 potentials | ||
| - | drwxr-xr-x 3 frey cadmin 84 2017-08-11 14:18 python | ||
| - | -rw-r--r-- 1 frey cadmin 1690 2011-09-23 19:48 README | ||
| - | drwxr-xr-x 66 frey cadmin 32768 2017-08-11 14:23 src | ||
| - | drwxr-xr-x 28 frey cadmin 4096 2017-08-11 14:19 tools | ||
| - | </code> | ||