Makefile build support for USER-ADIOS and build documentation
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@ -37,6 +37,7 @@ This is the list of packages that may require additional steps.
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"POEMS"_#poems,
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"PYTHON"_#python,
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"VORONOI"_#voronoi,
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"USER-ADIOS"_#user-adios,
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"USER-ATC"_#user-atc,
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"USER-AWPMD"_#user-awpmd,
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"USER-COLVARS"_#user-colvars,
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@ -576,6 +577,28 @@ the lib/voronoi/Makefile.lammps file.
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:line
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USER-ADIOS package :h4,link(user-adios)
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The USER-ADIOS package requires the "ADIOS I/O library"_https://github.com/ornladios/ADIOS2, version 2.3.1 or newer.
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Make sure that you have ADIOS built with/without MPI if you build LAMMPS with/without MPI, respectively.
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[CMake build]:
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-D ADIOS2_DIR=path # path is where ADIOS 2.x is installed
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-D PKG_USER-ADIOS=yes :pre
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[Traditional make]:
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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:
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make yes-user-adios :pre
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otherwise, set ADIOS2_DIR environment variable when turning on the package:
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ADIOS2_DIR=path make yes-user-adios # path is where ADIOS 2.x is installed :pre
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:line
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USER-ATC package :h4,link(user-atc)
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The USER-ATC package requires the MANYBODY package also be installed.
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@ -48,6 +48,7 @@ packages:
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"POEMS"_Build_extras.html#poems,
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"PYTHON"_Build_extras.html#python,
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"VORONOI"_Build_extras.html#voronoi,
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"USER-ADIOS"_Build_extras.html#user-adios,
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"USER-ATC"_Build_extras.html#user-atc,
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"USER-AWPMD"_Build_extras.html#user-awpmd,
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"USER-COLVARS"_Build_extras.html#user-colvars,
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@ -63,6 +63,7 @@ as contained in the file name.
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"SRD"_#PKG-SRD,
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"VORONOI"_#PKG-VORONOI :tb(c=6,ea=c)
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"USER-ADIOS"_#PKG-USER-ADIOS,
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"USER-ATC"_#PKG-USER-ATC,
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"USER-AWPMD"_#PKG-USER-AWPMD,
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"USER-BOCS"_#PKG-USER-BOCS,
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@ -975,6 +976,31 @@ examples/voronoi :ul
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:line
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USER-ADIOS package :link(PKG-USER-ADIOS),h4
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[Contents:]
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ADIOS is a high-performance I/O library. This package implements the
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dump "atom/adios" and dump "custom/adios" commands to write data using
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the ADIOS library.
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[Authors:] Norbert Podhorszki (ORNL) from the ADIOS developer team.
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[Install:]
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This package has "specific installation
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instructions"_Build_extras.html#user-adios on the "Build
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extras"_Build_extras.html doc page.
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[Supporting info:]
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src/USER-ADIOS: filenames -> commands
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src/USER-ADIOS/README
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examples/USER/adios
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https://github.com/ornladios/ADIOS2 :ul
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:line
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USER-ATC package :link(PKG-USER-ATC),h4
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[Contents:]
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@ -38,6 +38,7 @@ int = internal library: provided with LAMMPS, but you may need to build it
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ext = external library: you will need to download and install it on your machine :ul
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Package, Description, Doc page, Example, Library
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"USER-ADIOS"_Packages_details.html#PKG-USER-ADIOS, dump output via ADIOS, "dump adios"_dump_adios.html, USER/adios, ext
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"USER-ATC"_Packages_details.html#PKG-USER-ATC, Atom-to-Continuum coupling, "fix atc"_fix_atc.html, USER/atc, int
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"USER-AWPMD"_Packages_details.html#PKG-USER-AWPMD, wave packet MD, "pair_style awpmd/cut"_pair_awpmd.html, USER/awpmd, int
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"USER-BOCS"_Packages_details.html#PKG-USER-BOCS, BOCS bottom up coarse graining, "fix bocs"_fix_bocs.html, USER/bocs, no
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