This is not allowed if the kspace_modify overlap setting is no. :dd
{PPPM order < minimum allowed order} :dt
The default minimum order is 2. This can be reset by the
kspace_modify minorder command. :dd
{PPPM order cannot be < 2 or > than %d} :dt
This is a limitation of the PPPM implementation in LAMMPS. :dd
{PPPMDisp Coulomb grid is too large} :dt
The global PPPM grid is larger than OFFSET in one or more dimensions.
OFFSET is currently set to 4096. You likely need to decrease the
requested accuracy. :dd
{PPPMDisp Dispersion grid is too large} :dt
The global PPPM grid is larger than OFFSET in one or more dimensions.
OFFSET is currently set to 4096. You likely need to decrease the
requested accuracy. :dd
{PPPMDisp can only currently be used with comm_style brick} :dt
This is a current restriction in LAMMPS. :dd
{PPPMDisp coulomb order cannot be greater than %d} :dt
This is a limitation of the PPPM implementation in LAMMPS. :dd
{PPPMDisp used but no parameters set, for further information please see the pppm/disp documentation} :dt
An efficient and accurate usage of the pppm/disp requires settings via the kspace_modify command. Please see the pppm/disp documentation for further instructions. :dd
{PRD command before simulation box is defined} :dt
The prd command cannot be used before a read_data,
read_restart, or create_box command. :dd
{PRD nsteps must be multiple of t_event} :dt
Self-explanatory. :dd
{PRD t_corr must be multiple of t_event} :dt
Self-explanatory. :dd
{Package command after simulation box is defined} :dt
The package command cannot be used afer a read_data, read_restart, or
create_box command. :dd
{Package cuda command without USER-CUDA package enabled} :dt
The USER-CUDA package must be installed via "make yes-user-cuda"
before LAMMPS is built, and the "-c on" must be used to enable the
package. :dd
{Package gpu command without GPU package installed} :dt
The GPU package must be installed via "make yes-gpu" before LAMMPS is
built. :dd
{Package intel command without USER-INTEL package installed} :dt
The USER-INTEL package must be installed via "make yes-user-intel"
before LAMMPS is built. :dd
{Package kokkos command without KOKKOS package enabled} :dt
The KOKKOS package must be installed via "make yes-kokkos" before
LAMMPS is built, and the "-k on" must be used to enable the package. :dd
{Package omp command without USER-OMP package installed} :dt
The USER-OMP package must be installed via "make yes-user-omp" before
LAMMPS is built. :dd
{Pair body requires atom style body} :dt
Self-explanatory. :dd
{Pair body requires body style nparticle} :dt
This pair style is specific to the nparticle body style. :dd
This may lead to a larger grid than desired. See the kspace_modify overlap
command to prevent changing of the PPPM order. :dd
{Replacing a fix, but new group != old group} :dt
The ID and style of a fix match for a fix you are changing with a fix
command, but the new group you are specifying does not match the old
group. :dd
{Replicating in a non-periodic dimension} :dt
The parameters for a replicate command will cause a non-periodic
dimension to be replicated; this may cause unwanted behavior. :dd
{Resetting reneighboring criteria during PRD} :dt
A PRD simulation requires that neigh_modify settings be delay = 0,
every = 1, check = yes. Since these settings were not in place,
LAMMPS changed them and will restore them to their original values
after the PRD simulation. :dd
{Resetting reneighboring criteria during TAD} :dt
A TAD simulation requires that neigh_modify settings be delay = 0,
every = 1, check = yes. Since these settings were not in place,
LAMMPS changed them and will restore them to their original values
after the PRD simulation. :dd
{Resetting reneighboring criteria during minimization} :dt
Minimization requires that neigh_modify settings be delay = 0, every =
1, check = yes. Since these settings were not in place, LAMMPS
changed them and will restore them to their original values after the
minimization. :dd
{Restart file used different # of processors} :dt
The restart file was written out by a LAMMPS simulation running on a
different number of processors. Due to round-off, the trajectories of
your restarted simulation may diverge a little more quickly than if
you ran on the same # of processors. :dd
{Restart file used different 3d processor grid} :dt
The restart file was written out by a LAMMPS simulation running on a
different 3d grid of processors. Due to round-off, the trajectories
of your restarted simulation may diverge a little more quickly than if
you ran on the same # of processors. :dd
{Restart file used different boundary settings, using restart file values} :dt
Your input script cannot change these restart file settings. :dd
{Restart file used different newton bond setting, using restart file value} :dt
The restart file value will override the setting in the input script. :dd
{Restart file used different newton pair setting, using input script value} :dt
The input script value will override the setting in the restart file. :dd
{Restrain problem: %d %ld %d %d %d %d} :dt
Conformation of the 4 listed dihedral atoms is extreme; you may want
to check your simulation geometry. :dd
{Running PRD with only one replica} :dt
This is allowed, but you will get no parallel speed-up. :dd
{SRD bin shifting turned on due to small lamda} :dt
This is done to try to preserve accuracy. :dd
{SRD bin size for fix srd differs from user request} :dt
Fix SRD had to adjust the bin size to fit the simulation box. See the
cubic keyword if you want this message to be an error vs warning. :dd
{SRD bins for fix srd are not cubic enough} :dt
The bin shape is not within tolerance of cubic. See the cubic
keyword if you want this message to be an error vs warning. :dd
{SRD particle %d started inside big particle %d on step %ld bounce %d} :dt
See the inside keyword if you want this message to be an error vs
warning. :dd
{SRD particle %d started inside wall %d on step %ld bounce %d} :dt
See the inside keyword if you want this message to be an error vs
warning. :dd
{Shake determinant < 0.0} :dt
The determinant of the quadratic equation being solved for a single
cluster specified by the fix shake command is numerically suspect. LAMMPS
will set it to 0.0 and continue. :dd
{Shell command '%s' failed with error '%s'} :dt
Self-explanatory. :dd
{Shell command returned with non-zero status} :dt
This may indicate the shell command did not operate as expected. :dd
{Should not allow rigid bodies to bounce off relecting walls} :dt
LAMMPS allows this, but their dynamics are not computed correctly. :dd
{Should not use fix nve/limit with fix shake or fix rattle} :dt
This will lead to invalid constraint forces in the SHAKE/RATTLE
computation. :dd
{Simulations might be very slow because of large number of structure factors} :dt
Self-explanatory. :dd
{Slab correction not needed for MSM} :dt
Slab correction is intended to be used with Ewald or PPPM and is not needed by MSM. :dd
{System is not charge neutral, net charge = %g} :dt
The total charge on all atoms on the system is not 0.0.
For some KSpace solvers this is only a warning. :dd
{Table inner cutoff >= outer cutoff} :dt
You specified an inner cutoff for a Coulombic table that is longer
than the global cutoff. Probably not what you wanted. :dd
{Temperature for MSST is not for group all} :dt
User-assigned temperature to MSST fix does not compute temperature for
all atoms. Since MSST computes a global pressure, the kinetic energy
contribution from the temperature is assumed to also be for all atoms.
Thus the pressure used by MSST could be inaccurate. :dd
{Temperature for NPT is not for group all} :dt
User-assigned temperature to NPT fix does not compute temperature for
all atoms. Since NPT computes a global pressure, the kinetic energy
contribution from the temperature is assumed to also be for all atoms.
Thus the pressure used by NPT could be inaccurate. :dd
{Temperature for fix modify is not for group all} :dt
The temperature compute is being used with a pressure calculation
which does operate on group all, so this may be inconsistent. :dd
{Temperature for thermo pressure is not for group all} :dt
User-assigned temperature to thermo via the thermo_modify command does
not compute temperature for all atoms. Since thermo computes a global
pressure, the kinetic energy contribution from the temperature is
assumed to also be for all atoms. Thus the pressure printed by thermo
could be inaccurate. :dd
{The fix ave/spatial command has been replaced by the more flexible fix ave/chunk and compute chunk/atom commands -- fix ave/spatial will be removed in the summer of 2015} :dt
Self-explanatory. :dd
{The minimizer does not re-orient dipoles when using fix efield} :dt
This means that only the atom coordinates will be minimized,
not the orientation of the dipoles. :dd
{Too many common neighbors in CNA %d times} :dt
More than the maximum # of neighbors was found multiple times. This
was unexpected. :dd
{Too many inner timesteps in fix ttm} :dt
Self-explanatory. :dd
{Too many neighbors in CNA for %d atoms} :dt
More than the maximum # of neighbors was found multiple times. This
was unexpected. :dd
{Triclinic box skew is large} :dt
The displacement in a skewed direction is normally required to be less
than half the box length in that dimension. E.g. the xy tilt must be
between -half and +half of the x box length. You have relaxed the
constraint using the box tilt command, but the warning means that a
LAMMPS simulation may be inefficient as a result. :dd
{Use special bonds = 0,1,1 with bond style fene} :dt
Most FENE models need this setting for the special_bonds command. :dd
{Use special bonds = 0,1,1 with bond style fene/expand} :dt
Most FENE models need this setting for the special_bonds command. :dd
{Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions} :dt
This is likely not what you want to do. The exclusion settings will
eliminate neighbors in the neighbor list, which the manybody potential
needs to calculated its terms correctly. :dd
{Using compute temp/deform with inconsistent fix deform remap option} :dt
Fix nvt/sllod assumes deforming atoms have a velocity profile provided
by "remap v" or "remap none" as a fix deform option. :dd
{Using compute temp/deform with no fix deform defined} :dt
This is probably an error, since it makes little sense to use
compute temp/deform in this case. :dd
{Using fix srd with box deformation but no SRD thermostat} :dt
The deformation will heat the SRD particles so this can
be dangerous. :dd
{Using kspace solver on system with no charge} :dt
Self-explanatory. :dd
{Using largest cut-off for lj/long/dipole/long long long} :dt
Self-explanatory. :dd
{Using largest cutoff for buck/long/coul/long} :dt
Self-explanatory. :dd
{Using largest cutoff for lj/long/coul/long} :dt
Self-explanatory. :dd
{Using largest cutoff for pair_style lj/long/tip4p/long} :dt
Self-explanatory. :dd
{Using package gpu without any pair style defined} :dt
Self-explanatory. :dd
{Using pair potential shift with pair_modify compute no} :dt
The shift effects will thus not be computed. :dd
{Using pair tail corrections with nonperiodic system} :dt
This is probably a bogus thing to do, since tail corrections are
computed by integrating the density of a periodic system out to
infinity. :dd
{Using pair tail corrections with pair_modify compute no} :dt
The tail corrections will thus not be computed. :dd
{pair style reax is now deprecated and will soon be retired. Users should switch to pair_style reax/c} :dt
-"CORESHELL"_#CORESHELL, adiabatic core/shell model, Hendrik Heenen (Technical U of Munich), "Section 6.6.25"_Section_howto.html#howto_25, coreshell, -
-"DIPOLE"_#DIPOLE, point dipole particles, -, "pair_style dipole/cut"_pair_dipole.html, dipole, -
-"GPU"_#GPU, GPU-enabled styles, Mike Brown (ORNL), "Section 5.3.1"_accelerate_gpu.html, gpu, lib/gpu
-"USER-EFF"_#USER-EFF, electron force field, Andres Jaramillo-Botero (Caltech), "pair_style eff/cut"_pair_eff.html, USER/eff, "eff"_eff, -
-"USER-FEP"_#USER-FEP, free energy perturbation, Agilio Padua (U Blaise Pascal Clermont-Ferrand), "compute fep"_compute_fep.html, USER/fep, -, -
-"USER-H5MD"_#USER-H5MD, dump output via HDF5, Pierre de Buyl (KU Leuven), "dump h5md"_dump_h5md.html, -, -, lib/h5md
-"USER-INTEL"_#USER-INTEL, Vectorized CPU and Intel(R) coprocessor styles, W. Michael Brown (Intel), "Section 5.3.2"_accelerate_intel.html, examples/intel, -, -
-"USER-LB"_#USER-LB, Lattice Boltzmann fluid, Colin Denniston (U Western Ontario), "fix lb/fluid"_fix_lb_fluid.html, USER/lb, -, -
-"USER-MGPT"_#USER-MGPT, fast MGPT multi-ion potentials, Tomas Oppelstrup & John Moriarty (LLNL), "pair_style mgpt"_pair_mgpt.html, USER/mgpt, -, -
-"USER-MANIFOLD"_#USER-MANIFOLD, motion on 2d surface, Stefan Paquay (Eindhoven U of Technology), "fix manifoldforce"_fix_manifoldforce.html, USER/manifold, "manifold"_manifold, -
-"USER-NC-DUMP"_#USER-NC-DUMP, dump output via NetCDF, Lars Pastewka (Karlsruhe Institute of Technology, KIT), "dump nc / dump nc/mpiio"_dump_nc.html, -, -, lib/netcdf
group-ID = ID of the group of atoms to be dumped :l
-style = {atom} or {atom/gz} or {atom/mpiio} or {cfg} or {cfg/gz} or {cfg/mpiio} or {dcd} or {xtc} or {xyz} or {xyz/gz} or {xyz/mpiio} or {h5md} or {image} or {movie} or {molfile} or {local} or {custom} or {custom/gz} or {custom/mpiio} :l
+style = {atom} or {atom/gz} or {atom/mpiio} or {cfg} or {cfg/gz} or {cfg/mpiio} or {custom} or {custom/gz} or {custom/mpiio} or {dcd} or {h5md} or {image} or or {local} or {molfile} or {movie} or {netcdf} or {netcdf/mpiio} or {vtk} or {xtc} or {xyz} or {xyz/gz} or {xyz/mpiio} :l
N = dump every this many timesteps :l
file = name of file to write dump info to :l
args = list of arguments for a particular style :l
{atom} args = none
{atom/gz} args = none
{atom/mpiio} args = none
{cfg} args = same as {custom} args, see below
{cfg/gz} args = same as {custom} args, see below
{cfg/mpiio} args = same as {custom} args, see below
+ {custom}, {custom/gz}, {custom/mpiio} args = see below
{dcd} args = none
+ {h5md} args = discussed on "dump h5md"_dump_h5md.html doc page
+ {image} args = discussed on "dump image"_dump_image.html doc page
+ {local} args = see below
+ {molfile} args = discussed on "dump molfile"_dump_molfile.html doc page
+ {movie} args = discussed on "dump image"_dump_image.html doc page
+ {netcdf} args = discussed on "dump netcdf"_dump_netcdf.html doc page
+ {netcdf/mpiio} args = discussed on "dump netcdf"_dump_netcdf.html doc page
+ {vtk} args = same as {custom} args, see below, also "dump vtk"_dump_vtk.html doc page
{xtc} args = none
- {xyz} args = none :pre
- {xyz/gz} args = none :pre
+ {xyz} args = none
+ {xyz/gz} args = none
{xyz/mpiio} args = none :pre
- {custom/vtk} args = similar to custom args below, discussed on "dump custom/vtk"_dump_custom_vtk.html doc page :pre
group-ID = ID of the group of atoms to be imaged :l
h5md = style of dump command (other styles {atom} or {cfg} or {dcd} or {xtc} or {xyz} or {local} or {custom} are discussed on the "dump"_dump.html doc page) :l
N = dump every this many timesteps :l
file.h5 = name of file to write to :l
-args = list of data elements to dump, with their dump "subintervals".
-At least one element must be given and image may only be present if
-position is specified first. :l
+args = list of data elements to dump, with their dump "subintervals"
position options
image
velocity options
force options
species options
file_from ID: do not open a new file, re-use the already opened file from dump ID
box value = {yes} or {no}
create_group value = {yes} or {no}
author value = quoted string :pre
+:ule
-For the elements {position}, {velocity}, {force} and {species}, one
-may specify a sub-interval to write the data only every N_element
-iterations of the dump (i.e. every N*N_element time steps). This is
-specified by the option
+Note that at least one element must be specified and image may only be
+present if position is specified first.
- every N_element :pre
+For the elements {position}, {velocity}, {force} and {species}, a
+sub-interval may be specified to write the data only every N_element
+iterations of the dump (i.e. every N*N_element time steps). This is
+specified by this option directly following the element declaration:
-that follows directly the element declaration.
+every N_element :pre
:ule
[Examples:]
dump h5md1 all h5md 100 dump_h5md.h5 position image
dump h5md1 all h5md 100 dump_h5md.h5 position velocity every 10
-group-ID = ID of the group of atoms to be imaged :l
-{nc} or {nc/mpiio} = style of dump command (other styles {atom} or {cfg} or {dcd} or {xtc} or {xyz} or {local} or {custom} are discussed on the "dump"_dump.html doc page) :l
-N = dump every this many timesteps :l
-file.nc = name of file to write to :l
-args = list of per atom data elements to dump, same as for the 'custom' dump style. :l,ule
-
-[Examples:]
-
-dump 1 all nc 100 traj.nc type x y z vx vy vz
-dump_modify 1 append yes at -1 global c_thermo_pe c_thermo_temp c_thermo_press :pre
-
-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
+group-ID = ID of the group of atoms to be imaged :l
+{netcdf} or {netcdf/mpiio} = style of dump command (other styles {atom} or {cfg} or {dcd} or {xtc} or {xyz} or {local} or {custom} are discussed on the "dump"_dump.html doc page) :l
+N = dump every this many timesteps :l
+file = name of file to write dump info to :l
+args = list of atom attributes, same as for "dump_style custom"_dump.html :l,ule
+
+[Examples:]
+
+dump 1 all netcdf 100 traj.nc type x y z vx vy vz
+dump_modify 1 append yes at -1 global c_thermo_pe c_thermo_temp c_thermo_press
+dump 1 all netcdf/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 {netcdf} uses the "standard NetCDF
+library"_netcdf-home. All data is collected on one processor and then
+written to the dump file. Dump style {netcdf/mpiio} uses the
+"parallel NetCDF library"_pnetcdf-home and MPI-IO to write to the dump
+file in parallel; it has better performance on a larger number of
+processors. Note that style {netcdf} outputs all atoms sorted by atom
+tag while style {netcdf/mpiio} outputs atoms in order of their MPI
+rank.
+
+NetCDF files can be directly visualized via the following tools:
+
+Ovito (http://www.ovito.org/). Ovito supports the AMBER convention and
+all of the above extensions. :ule,b
+
+VMD (http://www.ks.uiuc.edu/Research/vmd/). :l
+
+AtomEye (http://www.libatoms.org/). The libAtoms version of AtomEye
+contains a NetCDF reader that is not present in the standard
+distribution of AtomEye. :l,ule
+
+In addition to per-atom data, global data can be included in the dump
+file, which are the kinds of values output by the
+"thermo_style"_thermo_style.html command . See "Section howto
+6.15"_Section_howto.html#howto_15 for an explanation of per-atom
+versus global data. The global output written into the dump file can
+be from computes, fixes, or variables, by prefixing the compute/fix ID
+or variable name with "c_" or "f_" or "v_" respectively, as in the
+example above. These global values are specified via the "dump_modify
+vtk = style of dump command (other styles {atom} or {cfg} or {dcd} or {xtc} or {xyz} or {local} or {custom} are discussed on the "dump"_dump.html doc page)
+N = dump every this many timesteps
+file = name of file to write dump info to
+args = same as arguments for "dump_style custom"_dump.html :ul
+
+[Examples:]
+
+dump dmpvtk all vtk 100 dump*.myforce.vtk id type vx fx
+dump dmpvtp flow vtk 100 dump*.%.displace.vtp id type c_myD\[1\] c_myD\[2\] c_myD\[3\] v_ke :pre
+
+[Description:]
+
+Dump a snapshot of atom quantities to one or more files every N
+timesteps in a format readable by the "VTK visualization
+toolkit"_http://www.vtk.org or other visualization tools that use it,
+e.g. "ParaView"_http://www.paraview.org. The timesteps on which dump
+output is written can also be controlled by a variable; see the
+"dump_modify every"_dump_modify.html command for details.
+
+This dump style is similar to "dump_style custom"_dump.html but uses
+the VTK library to write data to VTK simple legacy or XML format
+depending on the filename extension specified for the dump file. This
+can be either {*.vtk} for the legacy format or {*.vtp} and {*.vtu},
+respectively, for XML format; see the "VTK
+homepage"_http://www.vtk.org/VTK/img/file-formats.pdf for a detailed
+description of these formats. Since this naming convention conflicts
+with the way binary output is usually specified (see below), the
+"dump_modify binary"_dump_modify.html command allows setting of a
+binary option for this dump style explicitly.
+
+Only information for atoms in the specified group is dumped. The
+"dump_modify thresh and region"_dump_modify.html commands can also
+alter what atoms are included; see details below.
+
+As described below, special characters ("*", "%") in the filename
+determine the kind of output.
+
+IMPORTANT NOTE: Because periodic boundary conditions are enforced only
+on timesteps when neighbor lists are rebuilt, the coordinates of an
+atom written to a dump file may be slightly outside the simulation
+box.
+
+IMPORTANT NOTE: Unless the "dump_modify sort"_dump_modify.html option
+is invoked, the lines of atom information written to dump files will
+be in an indeterminate order for each snapshot. This is even true
+when running on a single processor, if the "atom_modify
+sort"_atom_modify.html option is on, which it is by default. In this
+case atoms are re-ordered periodically during a simulation, due to
+spatial sorting. It is also true when running in parallel, because
+data for a single snapshot is collected from multiple processors, each
+of which owns a subset of the atoms.
+
+For the {vtk} style, sorting is off by default. See the
+"dump_modify"_dump_modify.html doc page for details.
+
+:line
+
+The dimensions of the simulation box are written to a separate file
+for each snapshot (either in legacy VTK or XML format depending on the
+format of the main dump file) with the suffix {_boundingBox} appended
+to the given dump filename.
+
+For an orthogonal simulation box this information is saved as a
+rectilinear grid (legacy .vtk or .vtr XML format).
+
+Triclinic simulation boxes (non-orthogonal) are saved as
+hexahedrons in either legacy .vtk or .vtu XML format.
+
+Style {vtk} allows you to specify a list of atom attributes to be
+written to the dump file for each atom. The list of possible attributes
+is the same as for the "dump_style custom"_dump.html command; see
+its doc page for a listing and an explanation of each attribute.
+
+NOTE: Since position data is required to write VTK files the atom
+attributes "x y z" do not have to be specified explicitly; they will
+be included in the dump file regardless. Also, in contrast to the
+{custom} style, the specified {vtk} attributes are rearranged to
+ensure correct ordering of vector components (except for computes and
+fixes - these have to be given in the right order) and duplicate
+entries are removed.
+
+The VTK format uses a single snapshot of the system per file, thus
+a wildcard "*" must be included in the filename, as discussed below.
+Otherwise the dump files will get overwritten with the new snapshot
+each time.
+
+:line
+
+Dumps are performed on timesteps that are a multiple of N (including
+timestep 0) and on the last timestep of a minimization if the
+minimization converges. Note that this means a dump will not be
+performed on the initial timestep after the dump command is invoked,
+if the current timestep is not a multiple of N. This behavior can be
+changed via the "dump_modify first"_dump_modify.html command, which
+can also be useful if the dump command is invoked after a minimization
+ended on an arbitrary timestep. N can be changed between runs by
+using the "dump_modify every"_dump_modify.html command.
+The "dump_modify every"_dump_modify.html command
+also allows a variable to be used to determine the sequence of
+timesteps on which dump files are written. In this mode a dump on the
+first timestep of a run will also not be written unless the
+"dump_modify first"_dump_modify.html command is used.
+
+Dump filenames can contain two wildcard characters. If a "*"
+character appears in the filename, then one file per snapshot is
+written and the "*" character is replaced with the timestep value.
+For example, tmp.dump*.vtk becomes tmp.dump0.vtk, tmp.dump10000.vtk,
+tmp.dump20000.vtk, etc. Note that the "dump_modify pad"_dump_modify.html
+command can be used to insure all timestep numbers are the same length
+(e.g. 00010), which can make it easier to read a series of dump files
+in order with some post-processing tools.
+
+If a "%" character appears in the filename, then each of P processors
+writes a portion of the dump file, and the "%" character is replaced
+with the processor ID from 0 to P-1 preceded by an underscore character.
+For example, tmp.dump%.vtp becomes tmp.dump_0.vtp, tmp.dump_1.vtp, ...
+tmp.dump_P-1.vtp, etc. This creates smaller files and can be a fast
+mode of output on parallel machines that support parallel I/O for output.
+
+By default, P = the number of processors meaning one file per
+processor, but P can be set to a smaller value via the {nfile} or
+{fileper} keywords of the "dump_modify"_dump_modify.html command.
+These options can be the most efficient way of writing out dump files
+when running on large numbers of processors.
+
+For the legacy VTK format "%" is ignored and P = 1, i.e., only
+processor 0 does write files.
+
+Note that using the "*" and "%" characters together can produce a
+large number of small dump files!
+
+If {dump_modify binary} is used, the dump file (or files, if "*" or
+"%" is also used) is written in binary format. A binary dump file
+will be about the same size as a text version, but will typically
+write out much faster.
+
+:line
+
+[Restrictions:]
+
+The {vtk} style does not support writing of gzipped dump files.
+
+The {vtk} dump style is part of the USER-VTK 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.
+
+To use this dump style, you also must link to the VTK library. See
+the info in lib/vtk/README and insure the Makefile.lammps file in that
+directory is appropriate for your machine.
+
+The {vtk} dump style supports neither buffering or custom format
- Containers: Adding block partitioning to StaticCrsGraph [\#625](https://github.com/kokkos/kokkos/issues/625)
- Kokkos Make System can induce Errors on Cray Volta System [\#610](https://github.com/kokkos/kokkos/issues/610)
- OpenMP: error out if KOKKOS\_HAVE\_OPENMP is defined but not \_OPENMP [\#605](https://github.com/kokkos/kokkos/issues/605)
- CMake: fix standalone build with tests [\#604](https://github.com/kokkos/kokkos/issues/604)
- Change README \(that GitHub shows when opening Kokkos project page\) to tell users how to submit PRs [\#597](https://github.com/kokkos/kokkos/issues/597)
- Add correctness testing for all operators of Atomic View [\#420](https://github.com/kokkos/kokkos/issues/420)
- Allow assignment of Views with compatible memory spaces [\#290](https://github.com/kokkos/kokkos/issues/290)
- Build only one version of Kokkos library for tests [\#213](https://github.com/kokkos/kokkos/issues/213)
- Clean out old KOKKOS\_HAVE\_CXX11 macros clauses [\#156](https://github.com/kokkos/kokkos/issues/156)
- Develop TaskPolicy for CUDA [\#142](https://github.com/kokkos/kokkos/issues/142)
- New View : Test Compilation Downstream [\#138](https://github.com/kokkos/kokkos/issues/138)
- New View Implementation [\#135](https://github.com/kokkos/kokkos/issues/135)
- Add variant of subview that lets users add traits [\#134](https://github.com/kokkos/kokkos/issues/134)
- NVCC-WRAPPER: Add --host-only flag [\#121](https://github.com/kokkos/kokkos/issues/121)
- Address gtest issue with TriBITS Kokkos build outside of Trilinos [\#117](https://github.com/kokkos/kokkos/issues/117)
- Make tests pass with -expt-extended-lambda on CUDA [\#108](https://github.com/kokkos/kokkos/issues/108)
- Dynamic scheduling for parallel\_for and parallel\_reduce [\#106](https://github.com/kokkos/kokkos/issues/106)
- Runtime or compile time error when reduce functor's join is not properly specified as const member function or with volatile arguments [\#105](https://github.com/kokkos/kokkos/issues/105)
- Error out when the number of threads is modified after kokkos is initialized [\#104](https://github.com/kokkos/kokkos/issues/104)
- Porting to POWER and remove assumption of X86 default [\#103](https://github.com/kokkos/kokkos/issues/103)
- Dynamic scheduling option for RangePolicy [\#100](https://github.com/kokkos/kokkos/issues/100)
- SharedMemory Support for Lambdas [\#81](https://github.com/kokkos/kokkos/issues/81)
- Recommended TeamSize for Lambdas [\#80](https://github.com/kokkos/kokkos/issues/80)
- parallel\_reduce with RDC crashes linker [\#232](https://github.com/kokkos/kokkos/issues/232)
- build of Kokkos\_Sparse\_MV\_impl\_spmv\_Serial.cpp.o fails if you use nvcc and have cuda disabled [\#209](https://github.com/kokkos/kokkos/issues/209)
- Kokkos Serial execution space is not tested with TeamPolicy. [\#207](https://github.com/kokkos/kokkos/issues/207)
- Unit test failure on Hansen KokkosCore\_UnitTest\_Cuda\_MPI\_1 [\#200](https://github.com/kokkos/kokkos/issues/200)
- nvcc compiler warning: calling a \_\_host\_\_ function from a \_\_host\_\_ \_\_device\_\_ function is not allowed [\#180](https://github.com/kokkos/kokkos/issues/180)
- Intel 15 build error with defaulted "move" operators [\#171](https://github.com/kokkos/kokkos/issues/171)
- missing libkokkos.a during Trilinos 12.4.2 build, yet other libkokkos\*.a libs are there [\#165](https://github.com/kokkos/kokkos/issues/165)
- Tie atomic updates to execution space or even to thread team? \(speculation\) [\#144](https://github.com/kokkos/kokkos/issues/144)
- New View: Compiletime/size Test [\#137](https://github.com/kokkos/kokkos/issues/137)
- New View : Performance Test [\#136](https://github.com/kokkos/kokkos/issues/136)
- Signed/unsigned comparison warning in CUDA parallel [\#130](https://github.com/kokkos/kokkos/issues/130)
- Kokkos::complex: Need op\* w/ std::complex & real [\#126](https://github.com/kokkos/kokkos/issues/126)
- Use uintptr\_t for casting pointers [\#110](https://github.com/kokkos/kokkos/issues/110)
- Default thread mapping behavior between P and Q threads. [\#91](https://github.com/kokkos/kokkos/issues/91)
- Windows: Atomic\_Fetch\_Exchange\(\) return type [\#90](https://github.com/kokkos/kokkos/issues/90)
- Synchronic unit test is way too long [\#84](https://github.com/kokkos/kokkos/issues/84)
# B) Define the common options for Kokkos first so they can be used by
# subpackages as well.
#
# mfh 01 Aug 2016: See Issue #61:
#
# https://github.com/kokkos/kokkos/issues/61
#
# Don't use TRIBITS_ADD_DEBUG_OPTION() here, because that defines
# HAVE_KOKKOS_DEBUG. We define KOKKOS_HAVE_DEBUG here instead,
# for compatibility with Kokkos' Makefile build system.
TRIBITS_ADD_OPTION_AND_DEFINE(
Kokkos_ENABLE_DEBUG
KOKKOS_HAVE_DEBUG
"Enable run-time debug checks. These checks may be expensive, so they are disabled by default in a release build."
${${PROJECT_NAME}_ENABLE_DEBUG}
)
TRIBITS_ADD_OPTION_AND_DEFINE(
Kokkos_ENABLE_SIERRA_BUILD
KOKKOS_FOR_SIERRA
"Configure Kokkos for building within the Sierra build system."
OFF
)
TRIBITS_ADD_OPTION_AND_DEFINE(
Kokkos_ENABLE_Cuda
KOKKOS_HAVE_CUDA
"Enable CUDA support in Kokkos."
"${TPL_ENABLE_CUDA}"
)
TRIBITS_ADD_OPTION_AND_DEFINE(
Kokkos_ENABLE_Cuda_UVM
KOKKOS_USE_CUDA_UVM
"Enable CUDA Unified Virtual Memory as the default in Kokkos."
OFF
)
TRIBITS_ADD_OPTION_AND_DEFINE(
Kokkos_ENABLE_Cuda_RDC
KOKKOS_HAVE_CUDA_RDC
"Enable CUDA Relocatable Device Code support in Kokkos."
OFF
)
TRIBITS_ADD_OPTION_AND_DEFINE(
Kokkos_ENABLE_Cuda_Lambda
KOKKOS_HAVE_CUDA_LAMBDA
"Enable CUDA LAMBDA support in Kokkos."
OFF
)
TRIBITS_ADD_OPTION_AND_DEFINE(
Kokkos_ENABLE_Pthread
KOKKOS_HAVE_PTHREAD
"Enable Pthread support in Kokkos."
OFF
)
ASSERT_DEFINED(TPL_ENABLE_Pthread)
IF (Kokkos_ENABLE_Pthread AND NOT TPL_ENABLE_Pthread)
MESSAGE(FATAL_ERROR "You set Kokkos_ENABLE_Pthread=ON, but Trilinos' support for Pthread(s) is not enabled (TPL_ENABLE_Pthread=OFF). This is not allowed. Please enable Pthreads in Trilinos before attempting to enable Kokkos' support for Pthreads.")
ENDIF ()
IF (NOT TPL_ENABLE_Pthread)
ADD_DEFINITIONS(-DGTEST_HAS_PTHREAD=0)
ENDIF()
TRIBITS_ADD_OPTION_AND_DEFINE(
Kokkos_ENABLE_OpenMP
KOKKOS_HAVE_OPENMP
"Enable OpenMP support in Kokkos."
"${${PROJECT_NAME}_ENABLE_OpenMP}"
)
TRIBITS_ADD_OPTION_AND_DEFINE(
- Kokkos_ENABLE_QTHREAD
- KOKKOS_HAVE_QTHREAD
- "Enable QTHREAD support in Kokkos."
- "${TPL_ENABLE_QTHREAD}"
+ Kokkos_ENABLE_Qthreads
+ KOKKOS_HAVE_QTHREADS
+ "Enable Qthreads support in Kokkos."
+ "${TPL_ENABLE_QTHREADS}"
)
TRIBITS_ADD_OPTION_AND_DEFINE(
Kokkos_ENABLE_CXX11
KOKKOS_HAVE_CXX11
"Enable C++11 support in Kokkos."
"${${PROJECT_NAME}_ENABLE_CXX11}"
)
-
+
TRIBITS_ADD_OPTION_AND_DEFINE(
Kokkos_ENABLE_HWLOC
KOKKOS_HAVE_HWLOC
"Enable HWLOC support in Kokkos."
"${TPL_ENABLE_HWLOC}"
)
TRIBITS_ADD_OPTION_AND_DEFINE(
Kokkos_ENABLE_MPI
KOKKOS_HAVE_MPI
"Enable MPI support in Kokkos."
"${TPL_ENABLE_MPI}"
)
# Set default value of Kokkos_ENABLE_Debug_Bounds_Check option
#
# CMake is case sensitive. The Kokkos_ENABLE_Debug_Bounds_Check
# option (defined below) is annoyingly not all caps, but we need to
# keep it that way for backwards compatibility. If users forget and
# try using an all-caps variable, then make it count by using the
# all-caps version as the default value of the original, not-all-caps
# option. Otherwise, the default value of this option comes from
$(warning Warning: Cuda Lambda support was requested but NVCC version is too low. This requires NVCC for Cuda version 7.5 or higher. Disabling Lambda support now.)
# Shared libraries with version numbers are not handled correctly by NVCC
shared_versioned_libraries_host=""
shared_versioned_libraries=""
# Does the User set the architecture
arch_set=0
# Does the user overwrite the host compiler
ccbin_set=0
#Error code of compilation
error_code=0
# Do a dry run without actually compiling
dry_run=0
# Skip NVCC compilation and use host compiler directly
host_only=0
# Enable workaround for CUDA 6.5 for pragma ident
replace_pragma_ident=0
# Mark first host compiler argument
first_xcompiler_arg=1
temp_dir=${TMPDIR:-/tmp}
# Check if we have an optimization argument already
optimization_applied=0
#echo "Arguments: $# $@"
while [ $# -gt 0 ]
do
case $1 in
#show the executed command
--show|--nvcc-wrapper-show)
dry_run=1
;;
#run host compilation only
--host-only)
host_only=1
;;
#replace '#pragma ident' with '#ident' this is needed to compile OpenMPI due to a configure script bug and a non standardized behaviour of pragma with macros
--replace-pragma-ident)
replace_pragma_ident=1
;;
#handle source files to be compiled as cuda files
*.cpp|*.cxx|*.cc|*.C|*.c++|*.cu)
cpp_files="$cpp_files $1"
;;
# Ensure we only have one optimization flag because NVCC doesn't allow muliple
-O*)
if [ $optimization_applied -eq 1 ]; then
echo "nvcc_wrapper - *warning* you have set multiple optimization flags (-O*), only the first is used because nvcc can only accept a single optimization setting."
else
shared_args="$shared_args $1"
optimization_applied=1
fi
;;
#Handle shared args (valid for both nvcc and the host compiler)
, m_next_index(ViewAllocateWithoutInitializing("UnorderedMap next index"), capacity()+1) // +1 so that the *_at functions can always return a valid reference
# error "You must enable at least one of the following execution spaces in order to build this test: Kokkos::Threads, Kokkos::OpenMP, or Kokkos::Serial."
+ void operator()(const long i, const long j, const long k) const
+ {
+ input(i,j,k) = 1.0;
+ }
+
+ KOKKOS_INLINE_FUNCTION
+ void operator()(const InitZeroTag&, const long i, const long j, const long k) const
+ {
+ input(i,j,k) = 0;
+ }
+
+ view_type input;
+ const long irange;
+ const long jrange;
+ const long krange;
+ };
+
+
+ static double test_multi_index(const unsigned int icount, const unsigned int jcount, const unsigned int kcount, const unsigned int Ti = 1, const unsigned int Tj = 1, const unsigned int Tk = 1, const long iter = 1)
+ {
+ //This test performs multidim range over all dims
"Whether to enable the Kokkos::Serial device. This device executes \"parallel\" kernels sequentially on a single CPU thread. It is enabled by default. If you disable this device, please enable at least one other CPU device, such as Kokkos::OpenMP or Kokkos::Threads."
"Whether Kokkos allows use of lambdas at the outer level of parallel dispatch (that is, as the argument to an outer parallel_for, parallel_reduce, or parallel_scan). This requires C++11. It also does not currently work with public releases of CUDA. As a result, even if C++11 is enabled, this will be OFF by default if CUDA is enabled. If this option is ON, the macro KOKKOS_HAVE_CXX11_DISPATCH_LAMBDA will be defined. For compatibility with Kokkos' Makefile build system, it is also possible to define that macro on the command line."
Impl::throw_runtime_exception( "Requested too large league_size for TeamPolicy on Cuda execution space.");
// Make sure total block size is permissable
if ( m_team_size * m_vector_length > 1024 ) {
Impl::throw_runtime_exception(std::string("Kokkos::TeamPolicy< Cuda > the team size is too large. Team size x vector length must be smaller than 1024."));
}
}
/** \brief Specify league size, request team size */
TeamPolicyInternal( execution_space &
, int league_size_
, const Kokkos::AUTO_t & /* team_size_request */
, int vector_length_request = 1 )
: m_league_size( league_size_ )
, m_team_size( -1 )
, m_vector_length( vector_length_request )
, m_team_scratch_size {0,0}
, m_thread_scratch_size {0,0}
, m_chunk_size ( 32 )
{
// Allow only power-of-two vector_length
if ( ! Kokkos::Impl::is_integral_power_of_two( vector_length_request ) ) {
Impl::throw_runtime_exception( "Requested non-power-of-two vector length for TeamPolicy.");
Impl::throw_runtime_exception( "Requested too large league_size for TeamPolicy on Cuda execution space.");
// Make sure total block size is permissable
if ( m_team_size * m_vector_length > 1024 ) {
Impl::throw_runtime_exception(std::string("Kokkos::TeamPolicy< Cuda > the team size is too large. Team size x vector length must be smaller than 1024."));
}
}
TeamPolicyInternal( int league_size_
, const Kokkos::AUTO_t & /* team_size_request */
, int vector_length_request = 1 )
: m_league_size( league_size_ )
, m_team_size( -1 )
, m_vector_length ( vector_length_request )
, m_team_scratch_size {0,0}
, m_thread_scratch_size {0,0}
, m_chunk_size ( 32 )
{
// Allow only power-of-two vector_length
if ( ! Kokkos::Impl::is_integral_power_of_two( vector_length_request ) ) {
Impl::throw_runtime_exception( "Requested non-power-of-two vector length for TeamPolicy.");
Impl::throw_runtime_exception( "Kokkos::parallel_reduce with a TeamPolicy using a vector length of greater than 1 is not currently supported for CUDA for dynamic sized reduction types.");
if( (m_team_size < 32) && !UseShflReduction )
Impl::throw_runtime_exception( "Kokkos::parallel_reduce with a TeamPolicy using a team_size smaller than 32 is not currently supported with CUDA for dynamic sized reduction types.");
// Functor's reduce memory, team scan memory, and team shared memory depend upon team size.
const int shmem_size_total = m_team_begin + m_shmem_begin + m_shmem_size ;
if (! Kokkos::Impl::is_integral_power_of_two( m_team_size ) && !UseShflReduction ) {
Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelReduce< Cuda > bad team size"));
}
if ( CudaTraits::SharedMemoryCapacity < shmem_size_total ) {
Kokkos::Impl::throw_runtime_exception(std::string("Kokkos::Impl::ParallelReduce< Cuda > requested too much L0 scratch memory"));
Impl::throw_runtime_exception( "Kokkos::parallel_reduce with a TeamPolicy using a vector length of greater than 1 is not currently supported for CUDA for dynamic sized reduction types.");
if( (m_team_size < 32) && !UseShflReduction )
Impl::throw_runtime_exception( "Kokkos::parallel_reduce with a TeamPolicy using a team_size smaller than 32 is not currently supported with CUDA for dynamic sized reduction types.");
// Functor's reduce memory, team scan memory, and team shared memory depend upon team size.
const int shmem_size_total = m_team_begin + m_shmem_begin + m_shmem_size ;
if ( (! Kokkos::Impl::is_integral_power_of_two( m_team_size ) && !UseShflReduction ) ||
+ static constexpr int Left = static_cast<int>( Iterate::Left );
+
+ using index_type = typename traits::index_type;
+ using array_index_type = long;
+ using point_type = Kokkos::Array<array_index_type,rank>; //was index_type
+ using tile_type = Kokkos::Array<array_index_type,rank>;
+ // If point_type or tile_type is not templated on a signed integral type (if it is unsigned),
+ // then if user passes in intializer_list of runtime-determined values of
+ // signed integral type that are not const will receive a compiler error due
+ // to an invalid case for implicit conversion -
+ // "conversion from integer or unscoped enumeration type to integer type that cannot represent all values of the original, except where source is a constant expression whose value can be stored exactly in the target type"
+ // This would require the user to either pass a matching index_type parameter
+ // as template parameter to the MDRangePolicy or static_cast the individual values
+ if ( total_tile_size_check >= 1024 ) { // improve this check - 1024,1024,64 max per dim (Kepler), but product num_threads < 1024; more restrictions pending register limit
+ printf(" Tile dimensions exceed Cuda limits\n");
+ Kokkos::abort(" Cuda ExecSpace Error: MDRange tile dims exceed maximum number of threads per block - choose smaller tile dims");
+ //Kokkos::Impl::throw_runtime_exception( " Cuda ExecSpace Error: MDRange tile dims exceed maximum number of threads per block - choose smaller tile dims");
+ if ( total_tile_size_check >= 1024 ) { // improve this check - 1024,1024,64 max per dim (Kepler), but product num_threads < 1024; more restrictions pending register limit
+ printf(" Tile dimensions exceed Cuda limits\n");
+ Kokkos::abort(" Cuda ExecSpace Error: MDRange tile dims exceed maximum number of threads per block - choose smaller tile dims");
+ //Kokkos::Impl::throw_runtime_exception( " Cuda ExecSpace Error: MDRange tile dims exceed maximum number of threads per block - choose smaller tile dims");
-# error "At least one of the following execution spaces must be defined in order to use Kokkos: Kokkos::Cuda, Kokkos::OpenMP, Kokkos::Serial, or Kokkos::Threads."
+# error "At least one of the following execution spaces must be defined in order to use Kokkos: Kokkos::Cuda, Kokkos::OpenMP, Kokkos::Threads, Kokkos::Qthreads, or Kokkos::Serial."
#endif
-#if defined ( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_OPENMP )
- typedef OpenMP DefaultHostExecutionSpace ;
-#elif defined ( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_THREADS )
- typedef Threads DefaultHostExecutionSpace ;
-#elif defined ( KOKKOS_ENABLE_DEFAULT_DEVICE_TYPE_SERIAL )
-# error "At least one of the following execution spaces must be defined in order to use Kokkos: Kokkos::OpenMP, Kokkos::Serial, or Kokkos::Threads."
+# error "At least one of the following execution spaces must be defined in order to use Kokkos: Kokkos::OpenMP, Kokkos::Threads, Kokkos::Qthreads, or Kokkos::Serial."
-# error "At least one of the following host execution spaces must be defined: Kokkos::OpenMP, Kokkos::Serial, or Kokkos::Threads. You might be seeing this message if you disabled the Kokkos::Serial device explicitly using the Kokkos_ENABLE_Serial:BOOL=OFF CMake option, but did not enable any of the other host execution space devices."
+# error "At least one of the following host execution spaces must be defined: Kokkos::OpenMP, Kokkos::Threads, Kokkos::Qhreads, or Kokkos::Serial. You might be seeing this message if you disabled the Kokkos::Serial device explicitly using the Kokkos_ENABLE_Serial:BOOL=OFF CMake option, but did not enable any of the other host execution space devices."
-# error "At least one of the following host execution spaces must be defined: Kokkos::OpenMP, Kokkos::Serial, or Kokkos::Threads. You might be seeing this message if you disabled the Kokkos::Serial device explicitly using the Kokkos_ENABLE_Serial:BOOL=OFF CMake option, but did not enable any of the other host execution space devices."
+# error "At least one of the following host execution spaces must be defined: Kokkos::OpenMP, Kokkos::Threads, Kokkos::Qthreads, or Kokkos::Serial. You might be seeing this message if you disabled the Kokkos::Serial device explicitly using the Kokkos_ENABLE_Serial:BOOL=OFF CMake option, but did not enable any of the other host execution space devices."
\param label An optional Label giving the call name. Must be able to construct a std::string from the argument.
\param policy A Kokkos Execution Policy, such as an integer, a RangePolicy or a TeamPolicy.
\param functor A functor with a reduction operator, and optional init, join and final functions.
\param return_argument A return argument which can be a scalar, a View, or a ReducerStruct. This argument can be left out if the functor has a final function.
*/
/** \brief Parallel reduction
*
* parallel_reduce performs parallel reductions with arbitrary functions - i.e.
* it is not solely data based. The call expects up to 4 arguments:
*
*
* Example of a parallel_reduce functor for a POD (plain old data) value type:
+ echo ' message(WARNING "You are currently using compiler $${CMAKE_CXX_COMPILER} while Kokkos was built with $(CXX) ; make sure this is the behavior you intended to be.")' >> kokkos.cmake
+ echo "endif()" >> kokkos.cmake
+ echo "if(NOT DEFINED ENV{NVCC_WRAPPER})" >> kokkos.cmake
if ((strncmp(arg[iarg],"--kokkos-threads",16) == 0) || (strncmp(arg[iarg],"--threads",9) == 0)) {
//Find the number of threads (expecting --threads=XX)
if (!((strncmp(arg[iarg],"--kokkos-threads=",17) == 0) || (strncmp(arg[iarg],"--threads=",10) == 0)))
Impl::throw_runtime_exception("Error: expecting an '=INT' after command line argument '--threads/--kokkos-threads'. Raised by Kokkos::initialize(int narg, char* argc[]).");
Impl::throw_runtime_exception("Error: expecting an '=INT' after command line argument '--threads/--kokkos-threads'. Raised by Kokkos::initialize(int narg, char* argc[]).");
if (!((strncmp(arg[iarg],"--kokkos-numa=",14) == 0) || (strncmp(arg[iarg],"--numa=",7) == 0)))
Impl::throw_runtime_exception("Error: expecting an '=INT' after command line argument '--numa/--kokkos-numa'. Raised by Kokkos::initialize(int narg, char* argc[]).");
Impl::throw_runtime_exception("Error: expecting an '=INT' after command line argument '--numa/--kokkos-numa'. Raised by Kokkos::initialize(int narg, char* argc[]).");
//Find the number of device (expecting --device=XX)
if (!((strncmp(arg[iarg],"--kokkos-device=",16) == 0) || (strncmp(arg[iarg],"--device=",9) == 0)))
Impl::throw_runtime_exception("Error: expecting an '=INT' after command line argument '--device/--kokkos-device'. Raised by Kokkos::initialize(int narg, char* argc[]).");
Impl::throw_runtime_exception("Error: expecting an '=INT' after command line argument '--device/--kokkos-device'. Raised by Kokkos::initialize(int narg, char* argc[]).");
//Find the number of device (expecting --device=XX)
if (!((strncmp(arg[iarg],"--kokkos-ndevices=",18) == 0) || (strncmp(arg[iarg],"--ndevices=",11) == 0)))
Impl::throw_runtime_exception("Error: expecting an '=INT[,INT]' after command line argument '--ndevices/--kokkos-ndevices'. Raised by Kokkos::initialize(int narg, char* argc[]).");
Impl::throw_runtime_exception("Error: expecting an integer number after command line argument '--kokkos-ndevices'. Raised by Kokkos::initialize(int narg, char* argc[]).");
Impl::throw_runtime_exception("Error: expecting an integer number after command line argument '--kokkos-ndevices=XX,'. Raised by Kokkos::initialize(int narg, char* argc[]).");
-//change this if you want to allow oversubscription of the system, by default only the range {1-(system size)} is tested
-#define FOR_GAUNTLET(x) for(unsigned x = (std::min)(std::thread::hardware_concurrency()*8,unsigned(sizeof(next_table)/sizeof(unsigned))); x; x = next_table[x-1])
-
-//set this to override the benchmark of barriers to use OMP barriers instead of n3998 std::barrier
-//#define USEOMP
-
-#if defined(__SYNCHRONIC_COMPATIBLE)
- #define PREFIX "futex-"
-#else
- #define PREFIX "backoff-"
-#endif
-
-//this test uses a custom Mersenne twister to eliminate implementation variation
-# error "You must enable at least one of the following execution spaces in order to build this test: Kokkos::Threads, Kokkos::OpenMP, or Kokkos::Serial."
int AtomVecAtomicKokkos::pack_exchange_kokkos(const int &nsend,DAT::tdual_xfloat_2d &k_buf, DAT::tdual_int_1d k_sendlist,DAT::tdual_int_1d k_copylist,ExecutionSpace space,int dim,X_FLOAT lo,X_FLOAT hi )