Loading doc/src/Build_extras.txt +23 −0 Original line number Diff line number Diff line Loading @@ -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, Loading Loading @@ -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. Loading doc/src/Build_package.txt +1 −0 Original line number Diff line number Diff line Loading @@ -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, Loading doc/src/Packages_details.txt +26 −0 Original line number Diff line number Diff line Loading @@ -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, Loading Loading @@ -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:] Loading doc/src/Packages_user.txt +1 −0 Original line number Diff line number Diff line Loading @@ -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 Loading src/Makefile +1 −1 Original line number Diff line number Diff line Loading @@ -58,7 +58,7 @@ PACKAGE = asphere body class2 colloid compress coreshell dipole gpu \ molecule mpiio mscg opt peri poems \ python qeq replica rigid shock snap spin srd voronoi PACKUSER = user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \ PACKUSER = user-adios user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \ user-diffraction user-dpd user-drude user-eff user-fep user-h5md \ user-intel user-lb user-manifold user-meamc user-meso \ user-mgpt user-misc user-mofff user-molfile \ Loading Loading
doc/src/Build_extras.txt +23 −0 Original line number Diff line number Diff line Loading @@ -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, Loading Loading @@ -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. Loading
doc/src/Build_package.txt +1 −0 Original line number Diff line number Diff line Loading @@ -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, Loading
doc/src/Packages_details.txt +26 −0 Original line number Diff line number Diff line Loading @@ -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, Loading Loading @@ -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:] Loading
doc/src/Packages_user.txt +1 −0 Original line number Diff line number Diff line Loading @@ -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 Loading
src/Makefile +1 −1 Original line number Diff line number Diff line Loading @@ -58,7 +58,7 @@ PACKAGE = asphere body class2 colloid compress coreshell dipole gpu \ molecule mpiio mscg opt peri poems \ python qeq replica rigid shock snap spin srd voronoi PACKUSER = user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \ PACKUSER = user-adios user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-colvars \ user-diffraction user-dpd user-drude user-eff user-fep user-h5md \ user-intel user-lb user-manifold user-meamc user-meso \ user-mgpt user-misc user-mofff user-molfile \ Loading
