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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2957 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-07-02 18:00:10 +00:00
parent 28fce3b01d
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doc/Section_errors.html
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@ -1000,15 +1000,9 @@ triclinic.
<DD>Self-explanatory.
<DT><I>Compute erotate/asphere requires extended particles</I>
<DT><I>Compute ID for compute heat/flux does not exist</I>
<DD>This quantity can only be calculated for particles with a shape
setting.
<DT><I>Compute temp/asphere requires extended particles</I>
<DD>This quantity can only be calculated for particles with a shape
setting.
<DD>Self-explanatory.
<DT><I>Compute ID for compute reduce does not exist</I>
@ -1057,6 +1051,11 @@ since those atoms are not in the neighbor list.
<DD>Damage is a Peridynamic-specific metric. It requires you
to be running a Peridynamics simulation.
<DT><I>Compute does not allow an extra compute to be reset</I>
<DD>This is an internal LAMMPS error. Please report it to the
developers.
<DT><I>Compute erotate/asphere cannot be used with atom attributes diameter or rmass</I>
<DD>These attributes override the shape and mass settings, so cannot be
@ -1066,6 +1065,10 @@ used.
<DD>An atom style that defines these attributes must be used.
<DT><I>Compute erotate/asphere requires extended particles</I>
<DD>This compute cannot be used with point paritlces.
<DT><I>Compute erotate/sphere requires atom attribute omega</I>
<DD>An atom style that defines this attribute must be used.
@ -1082,6 +1085,14 @@ used.
<DD>Self-explanatory.
<DT><I>Compute heat/flux compute ID does not compute pe/atom</I>
<DD>Self-explanatory.
<DT><I>Compute heat/flux requires ghost atoms store velocity</I>
<DD>An atom style that stores this, like atom_style dpd, must be used.
<DT><I>Compute pe must use group all</I>
<DD>Energies computed by potentials (pair, bond, etc) are computed on all
@ -1092,7 +1103,7 @@ atoms.
<DD>Virial contributions computed by potentials (pair, bond, etc) are
computed on all atoms.
<DT><I>Compute pressure temp ID does not compute temperature</I>
<DT><I>Compute pressure temperature ID does not compute temperature</I>
<DD>The compute ID assigned to a pressure computation must compute
temperature.
@ -1138,11 +1149,11 @@ used.
<DD>An atom style that defines these attributes must be used.
<DT><I>Compute temp/partial cannot use vz for 2d systems</I>
<DT><I>Compute temp/asphere requires extended particles</I>
<DD>Self-explanatory.
<DD>This compute cannot be used with point paritlces.
<DT><I>Compute temp/profile cannot use vz for 2d systems</I>
<DT><I>Compute temp/partial cannot use vz for 2d systemx</I>
<DD>Self-explanatory.
@ -1150,6 +1161,10 @@ used.
<DD>Self-explanatory.
<DT><I>Compute temp/profile cannot use vz for 2d systemx</I>
<DD>Self-explanatory.
<DT><I>Compute temp/sphere requires atom attribute omega</I>
<DD>An atom style that defines this attribute must be used.
@ -1222,7 +1237,11 @@ temperature is 0.0.
<DD>Self-explanatory.
<DT><I>Could not find compute pressure temp ID</I>
<DT><I>Could not find compute heat/flux compute ID</I>
<DD>Self-explanatory.
<DT><I>Could not find compute pressure temperature ID</I>
<DD>The compute ID for calculating temperature does not exist.
@ -1230,10 +1249,6 @@ temperature is 0.0.
<DD>Self-explanatory.
<DT><I>Could not find group delete ID</I>
<DD>Self-explanatory.
<DT><I>Could not find delete_atoms group ID</I>
<DD>Group ID used in the delete_atoms command does not exist.
@ -1295,10 +1310,14 @@ does not exist.
<DD>The compute ID for computing pressure does not exist.
<DT><I>Could not find fix_modify temp ID</I>
<DT><I>Could not find fix_modify temperature ID</I>
<DD>The compute ID for computing temperature does not exist.
<DT><I>Could not find group delete group ID</I>
<DD>Self-explanatory.
<DT><I>Could not find set group ID</I>
<DD>Group ID specified in set command does not exist.
@ -1325,12 +1344,12 @@ quantity does not exist.
<DD>Fix ID specified in thermo_style command does not exist.
<DT><I>Could not find thermo_modify press ID</I>
<DT><I>Could not find thermo_modify pressure ID</I>
<DD>The compute ID needed by thermo style custom to compute pressure does
not exist.
<DT><I>Could not find thermo_modify temp ID</I>
<DT><I>Could not find thermo_modify temperature ID</I>
<DD>The compute ID needed by thermo style custom to compute temperature does
not exist.
@ -1343,7 +1362,7 @@ not exist.
<DD>A group ID used in the velocity command does not exist.
<DT><I>Could not find velocity temp ID</I>
<DT><I>Could not find velocity temperature ID</I>
<DD>The compute ID needed by the velocity command to compute temperature
does not exist.
@ -2000,6 +2019,11 @@ error occurs, it is likely a bug, so send an email to the
<DD>Cannot use the rdf fix unless a pair style with a cutoff has been
defined.
<DT><I>Fix reax/bonds numbonds > nsbmax_most</I>
<DD>The limit of the number of bonds expected by the ReaxFF force field
was exceeded.
<DT><I>Fix recenter group has no atoms</I>
<DD>Self-explanatory.
@ -2060,10 +2084,6 @@ details.
<DD>Self-explanatory.
<DT><I>Invalid random number seed in fix ttm command</I>
<DD>Random number seed must be > 0.
<DT><I>Fix ttm v_0 must be >= 0.0</I>
<DD>Self-explanatory.
@ -2098,7 +2118,7 @@ this fix.
<DD>The compute ID assigned to the fix must compute pressure.
<DT><I>Fix_modify temp ID does not compute temperature</I>
<DT><I>Fix_modify temperature ID does not compute temperature</I>
<DD>The compute ID assigned to the fix must compute temperature.
@ -2340,6 +2360,11 @@ simulation box.
<DD>Eigensolve for rigid body was not sufficiently accurate.
<DT><I>Invalid REAX atom type</I>
<DD>There is a mis-match between LAMMPS atom types and the elements
listed in the ReaxFF force field file.
<DT><I>Invalid angle style</I>
<DD>The choice of angle style is unknown.
@ -2545,6 +2570,10 @@ the command you are using to launch LAMMPS.
<DD>Atom style does not allow dihedrals.
<DT><I>Invalid density in Atoms section of data file</I>
<DD>Density value cannot be <= 0.0.
<DT><I>Invalid dihedral style</I>
<DD>The choice of dihedral style is unknown.
@ -2593,6 +2622,11 @@ to be written by each processor.
<DD>The fix is not recognized.
<DT><I>Invalid fix box/relax command for a 2d simulation</I>
<DD>Fix box/relax styles involving the z dimension cannot be used in
a 2d simulation.
<DT><I>Invalid fix nph command for a 2d simulation</I>
<DD>Cannot use style xy, yz, or xz for a 2d simulation.
@ -2738,6 +2772,10 @@ kspace, etc.
<DD>Radius must be >= 0.0.
<DT><I>Invalid random number seed in fix ttm command</I>
<DD>Random number seed must be > 0.
<DT><I>Invalid random number seed in set command</I>
<DD>Random number seed must be > 0.
@ -3453,18 +3491,23 @@ not be invoked by bond_style quartic.
<DT><I>Pair style does not support compute group/group</I>
<P>The pair_style does not have a single() function, so it cannot be
invokded by the compute group/group command.
</P>
<DD>The pair_style does not have a single() function, so it cannot be
invokded by the compute group/group command.
<DT><I>Pair style does not support compute heat/flux</I>
<DD>The pair style does not have a single() function, so it can
not be invoked by compute heat/flux.
<DT><I>Pair style does not support fix bond/swap</I>
<P>The pair_style does not have a single() function, so it cannot be
invokded by the fix bond/swap command.
</P>
<DD>The pair style does not have a single() function, so it can
not be invoked by fix bond/swap.
<DT><I>Pair style does not support pair_write</I>
<DD>The pair style does not have a single() function, so it cannot be
invoked by the pair_write command.
<DD>The pair style does not have a single() function, so it can
not be invoked by pair write.
<DT><I>Pair style does not support rRESPA inner/middle/outer</I>
@ -3619,6 +3662,10 @@ needed entry.
<DD>The compute ID needed to compute pressure for the fix does not
exist.
<DT><I>Pressure ID for fix modify does not exist</I>
<DD>Self-explanatory.
<DT><I>Pressure ID for fix nph does not exist</I>
<DD>The compute ID needed to compute pressure for the fix does not
@ -3639,10 +3686,6 @@ exist.
<DD>The compute ID needed to compute pressure for thermodynamics does not
exist.
<DT><I>Pressure ID for fix modify does not exist</I>
<DD>Self-explanatory.
<DT><I>Proc grid in z != 1 for 2d simulation</I>
<DD>There cannot be more than 1 processor in the z dimension of a 2d
@ -3845,29 +3888,30 @@ fix group.
<DD>Self-explanatory.
<DT><I>Temp ID for fix bond/swap does not exist</I>
<DT><I>Temper command before simulation box is defined</I>
<DD>The temper command cannot be used before a read_data, read_restart, or
create_box command.
<DT><I>Temperature ID for fix bond/swap does not exist</I>
<DD>Self-explanatory.
<DT><I>Temperature ID for fix box/relax does not exist</I>
<DD>The compute ID needed to compute temperature for the fix does not
exist.
<DD>Self-explanatory.
<DT><I>Temperature ID for fix nph does not exist</I>
<DD>The compute ID needed to compute temperature for the fix does not
exist.
<DD>Self-explanatory.
<DT><I>Temperature ID for fix npt does not exist</I>
<DD>The compute ID needed to compute temperature for the fix does not
exist.
<DD>Self-explanatory.
<DT><I>Temperature ID for fix nvt does not exist</I>
<DD>The compute ID needed to compute temperature for the fix does not
exist.
<DD>Self-explanatory.
<DT><I>Temperature ID for fix press/berendsen does not exist</I>
@ -3879,13 +3923,7 @@ exist.
<DT><I>Temperature ID for fix temp/rescale does not exist</I>
<DD>The compute ID needed to compute temperature for the fix does not
exist.
<DT><I>Temper command before simulation box is defined</I>
<DD>The temper command cannot be used before a read_data, read_restart, or
create_box command.
<DD>Self-explanatory.
<DT><I>Temperature for fix nvt/sllod does not have a bias</I>
@ -3976,11 +4014,11 @@ is not computing this quantity.
<DD>Cannot use thermo_modify to set this parameter since the thermo_style
is not computing this quantity.
<DT><I>Thermo_modify press ID does not compute pressure</I>
<DT><I>Thermo_modify pressure ID does not compute pressure</I>
<DD>The specified compute ID does not compute pressure.
<DT><I>Thermo_modify temp ID does not compute temperature</I>
<DT><I>Thermo_modify temperature ID does not compute temperature</I>
<DD>The specified compute ID does not compute temperature.
@ -4202,7 +4240,7 @@ or create_box command.
<DD>Self-explanatory.
<DT><I>Velocity temp ID does not compute temperature</I>
<DT><I>Velocity temperature ID does not compute temperature</I>
<DD>The compute ID given to the velocity command must compute
temperature.
@ -4238,6 +4276,18 @@ read_restart, or create_box command.
<DD>See the doc page for fix bond/break for more info on this
restriction.
<DT><I>Compute cna/atom cutoff may be too large to find ghost atom neighbors</I>
<DD>The neighbor cutoff used may not encompass enough ghost atoms
to perform this operation correctly.
<DT><I>Computing temperature of portions of rigid bodies</I>
<DD>The group defined by the temperature compute does not encompass all
the atoms in one or more rigid bodies, so the change in
degrees-of-freedom for the atoms in those partial rigid bodies will
not be accounted for.
<DT><I>Created bonds will not create angles, dihedrals, or impropers</I>
<DD>See the doc page for fix bond/create for more info on this
@ -4433,24 +4483,19 @@ you ran on the same # of processors.
<DT><I>Restart file used different boundary settings, using restart file values</I>
<P>Your input script cannot change these settings in the restart file.
</P>
<DD>Your input script cannot change these restart file settings.
<DT><I>Restart file used different newton bond setting, using restart file value</I>
<P>Your input script cannot change this setting in the restart file.
</P>
<DD>The restart file value will override the setting in the input script.
<DT><I>Restart file used different newton pair setting, using input script value</I>
<P>Your input script can change this setting in the restart file, but you
may not wish to do so.
</P>
<DD>The input script value will override the setting in the restart file.
<DT><I>Restart file version does not match LAMMPS version</I>
<DD>The version of LAMMPS that wrote the restart file does not match the
version of LAMMPS that is reading the restart file. Generally this
shouldn't be a problem, since restart file formats won't change very
often if at all. But if they do, the code will probably crash trying
to read the file. Versions of LAMMPS are specified by a date.
<DD>This may cause problems when reading the restart file.
<DT><I>Shake determinant < 0.0</I>
@ -4482,6 +4527,11 @@ 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.
<DT><I>Temperature for fix modify is not for group all</I>
<DD>The temperature compute is being used with a pressure calculation
which does operate on group all, so this may be inconsistent.
<DT><I>Temperature for thermo pressure is not for group all</I>
<DD>User-assigned temperature to thermo via the thermo_modify command does
@ -4490,10 +4540,20 @@ 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.
<DT><I>Too many common neighbors in CNA %d times</I>
<DD>More than the maximum # of neighbors was found multiple times. This
was unexpected.
<DT><I>Too many inner timesteps in fix ttm</I>
<DD>Self-explanatory.
<DT><I>Too many neighbors in CNA for %d atoms</I>
<DD>More than the maximum # of neighbors was found multiple times. This
was unexpected.
<DT><I>Use special bonds = 0,1,1 with bond style fene/expand</I>
<DD>Most FENE models need this setting for the special_bonds command.