Loading doc/src/dump.txt +4 −1 Original line number Diff line number Diff line Loading @@ -12,6 +12,7 @@ dump command :h3 "dump image"_dump_image.html command :h3 "dump movie"_dump_image.html command :h3 "dump molfile"_dump_molfile.html command :h3 "dump nc"_dump_nc.html command :h3 [Syntax:] Loading Loading @@ -43,7 +44,9 @@ args = list of arguments for a particular style :l {movie} args = discussed on "dump image"_dump_image.html doc page :pre {molfile} args = discussed on "dump molfile"_dump_molfile.html doc page :pre {molfile} args = discussed on "dump molfile"_dump_molfile.html doc page {nc} args = discussed on "dump nc"_dump_nc.html doc page :pre {local} args = list of local attributes possible attributes = index, c_ID, c_ID\[I\], f_ID, f_ID\[I\] Loading doc/src/dump_nc.txt +21 −19 Original line number Diff line number Diff line Loading @@ -31,30 +31,32 @@ dump 1 all nc/mpiio 1000 traj.nc id type x y z :pre [Description:] Dump a snapshot of atom coordinates every N timesteps in Amber-style NetCDF file format. NetCDF files are binary, portable and self-describing. This dump style will write only one file on the root node. The dump style {nc} uses the "standard NetCDF library"_netcdf-home all data is collected on one processor and then written to the dump file. Dump style {nc/mpiio} used the "parallel NetCDF library"_pnetcdf-home and MPI-IO; it has better performance on a larger number of processors. Note that 'nc' outputs all atoms sorted by atom tag while 'nc/mpiio' outputs in order of the MPI rank. In addition to per-atom data, also global (i.e. not per atom, but per frame) quantities can be included in the dump file. This can be variables, output from computes or fixes data prefixed with v_, c_ and f_, respectively. These properties are included via "dump_modify"_dump_modify.html {global}. NetCDF file format. NetCDF files are binary, portable and self-describing. This dump style will write only one file on the root node. The dump style {nc} uses the "standard NetCDF library"_netcdf-home all data is collected on one processor and then written to the dump file. Dump style {nc/mpiio} used the "parallel NetCDF library"_pnetcdf-home and MPI-IO; it has better performance on a larger number of processors. Note that 'nc' outputs all atoms sorted by atom tag while 'nc/mpiio' outputs in order of the MPI rank. In addition to per-atom data, also global (i.e. not per atom, but per frame) quantities can be included in the dump file. This can be variables, output from computes or fixes data prefixed with v_, c_ and f_, respectively. These properties are included via "dump_modify"_dump_modify.html {global}. :link(netcdf-home,http://www.unidata.ucar.edu/software/netcdf/) :link(pnetcdf-home,http://trac.mcs.anl.gov/projects/parallel-netcdf/) :line [Restrictions:] The {nc} and {nc/mpiio} dump styles are part of the USER-NC-DUMP package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. :link(netcdf-home,http://www.unidata.ucar.edu/software/netcdf/) :link(pnetcdf-home,http://trac.mcs.anl.gov/projects/parallel-netcdf/) The {nc} and {nc/mpiio} dump styles are part of the USER-NC-DUMP package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. :line Loading Loading
doc/src/dump.txt +4 −1 Original line number Diff line number Diff line Loading @@ -12,6 +12,7 @@ dump command :h3 "dump image"_dump_image.html command :h3 "dump movie"_dump_image.html command :h3 "dump molfile"_dump_molfile.html command :h3 "dump nc"_dump_nc.html command :h3 [Syntax:] Loading Loading @@ -43,7 +44,9 @@ args = list of arguments for a particular style :l {movie} args = discussed on "dump image"_dump_image.html doc page :pre {molfile} args = discussed on "dump molfile"_dump_molfile.html doc page :pre {molfile} args = discussed on "dump molfile"_dump_molfile.html doc page {nc} args = discussed on "dump nc"_dump_nc.html doc page :pre {local} args = list of local attributes possible attributes = index, c_ID, c_ID\[I\], f_ID, f_ID\[I\] Loading
doc/src/dump_nc.txt +21 −19 Original line number Diff line number Diff line Loading @@ -31,30 +31,32 @@ dump 1 all nc/mpiio 1000 traj.nc id type x y z :pre [Description:] Dump a snapshot of atom coordinates every N timesteps in Amber-style NetCDF file format. NetCDF files are binary, portable and self-describing. This dump style will write only one file on the root node. The dump style {nc} uses the "standard NetCDF library"_netcdf-home all data is collected on one processor and then written to the dump file. Dump style {nc/mpiio} used the "parallel NetCDF library"_pnetcdf-home and MPI-IO; it has better performance on a larger number of processors. Note that 'nc' outputs all atoms sorted by atom tag while 'nc/mpiio' outputs in order of the MPI rank. In addition to per-atom data, also global (i.e. not per atom, but per frame) quantities can be included in the dump file. This can be variables, output from computes or fixes data prefixed with v_, c_ and f_, respectively. These properties are included via "dump_modify"_dump_modify.html {global}. NetCDF file format. NetCDF files are binary, portable and self-describing. This dump style will write only one file on the root node. The dump style {nc} uses the "standard NetCDF library"_netcdf-home all data is collected on one processor and then written to the dump file. Dump style {nc/mpiio} used the "parallel NetCDF library"_pnetcdf-home and MPI-IO; it has better performance on a larger number of processors. Note that 'nc' outputs all atoms sorted by atom tag while 'nc/mpiio' outputs in order of the MPI rank. In addition to per-atom data, also global (i.e. not per atom, but per frame) quantities can be included in the dump file. This can be variables, output from computes or fixes data prefixed with v_, c_ and f_, respectively. These properties are included via "dump_modify"_dump_modify.html {global}. :link(netcdf-home,http://www.unidata.ucar.edu/software/netcdf/) :link(pnetcdf-home,http://trac.mcs.anl.gov/projects/parallel-netcdf/) :line [Restrictions:] The {nc} and {nc/mpiio} dump styles are part of the USER-NC-DUMP package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. :link(netcdf-home,http://www.unidata.ucar.edu/software/netcdf/) :link(pnetcdf-home,http://trac.mcs.anl.gov/projects/parallel-netcdf/) The {nc} and {nc/mpiio} dump styles are part of the USER-NC-DUMP package. It is only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. :line Loading
