Makefile build support for USER-ADIOS and build documentation

This commit is contained in:
Norbert Podhorszki
2019-02-20 14:42:28 -05:00
parent 75fe967876
commit 1179beb543
6 changed files with 97 additions and 42 deletions

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@ -37,6 +37,7 @@ This is the list of packages that may require additional steps.
"POEMS"_#poems,
"PYTHON"_#python,
"VORONOI"_#voronoi,
"USER-ADIOS"_#user-adios,
"USER-ATC"_#user-atc,
"USER-AWPMD"_#user-awpmd,
"USER-COLVARS"_#user-colvars,
@ -576,6 +577,28 @@ the lib/voronoi/Makefile.lammps file.
:line
USER-ADIOS package :h4,link(user-adios)
The USER-ADIOS package requires the "ADIOS I/O library"_https://github.com/ornladios/ADIOS2, version 2.3.1 or newer.
Make sure that you have ADIOS built with/without MPI if you build LAMMPS with/without MPI, respectively.
[CMake build]:
-D ADIOS2_DIR=path # path is where ADIOS 2.x is installed
-D PKG_USER-ADIOS=yes :pre
[Traditional make]:
Turn on the USER-ADIOS package before building LAMMPS. If the ADIOS 2.x software is installed in PATH, there is nothing else to do:
make yes-user-adios :pre
otherwise, set ADIOS2_DIR environment variable when turning on the package:
ADIOS2_DIR=path make yes-user-adios # path is where ADIOS 2.x is installed :pre
:line
USER-ATC package :h4,link(user-atc)
The USER-ATC package requires the MANYBODY package also be installed.

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@ -48,6 +48,7 @@ packages:
"POEMS"_Build_extras.html#poems,
"PYTHON"_Build_extras.html#python,
"VORONOI"_Build_extras.html#voronoi,
"USER-ADIOS"_Build_extras.html#user-adios,
"USER-ATC"_Build_extras.html#user-atc,
"USER-AWPMD"_Build_extras.html#user-awpmd,
"USER-COLVARS"_Build_extras.html#user-colvars,

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@ -63,6 +63,7 @@ as contained in the file name.
"SRD"_#PKG-SRD,
"VORONOI"_#PKG-VORONOI :tb(c=6,ea=c)
"USER-ADIOS"_#PKG-USER-ADIOS,
"USER-ATC"_#PKG-USER-ATC,
"USER-AWPMD"_#PKG-USER-AWPMD,
"USER-BOCS"_#PKG-USER-BOCS,
@ -975,6 +976,31 @@ examples/voronoi :ul
:line
USER-ADIOS package :link(PKG-USER-ADIOS),h4
[Contents:]
ADIOS is a high-performance I/O library. This package implements the
dump "atom/adios" and dump "custom/adios" commands to write data using
the ADIOS library.
[Authors:] Norbert Podhorszki (ORNL) from the ADIOS developer team.
[Install:]
This package has "specific installation
instructions"_Build_extras.html#user-adios on the "Build
extras"_Build_extras.html doc page.
[Supporting info:]
src/USER-ADIOS: filenames -> commands
src/USER-ADIOS/README
examples/USER/adios
https://github.com/ornladios/ADIOS2 :ul
:line
USER-ATC package :link(PKG-USER-ATC),h4
[Contents:]

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@ -38,6 +38,7 @@ int = internal library: provided with LAMMPS, but you may need to build it
ext = external library: you will need to download and install it on your machine :ul
Package, Description, Doc page, Example, Library
"USER-ADIOS"_Packages_details.html#PKG-USER-ADIOS, dump output via ADIOS, "dump adios"_dump_adios.html, USER/adios, ext
"USER-ATC"_Packages_details.html#PKG-USER-ATC, Atom-to-Continuum coupling, "fix atc"_fix_atc.html, USER/atc, int
"USER-AWPMD"_Packages_details.html#PKG-USER-AWPMD, wave packet MD, "pair_style awpmd/cut"_pair_awpmd.html, USER/awpmd, int
"USER-BOCS"_Packages_details.html#PKG-USER-BOCS, BOCS bottom up coarse graining, "fix bocs"_fix_bocs.html, USER/bocs, no