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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7761 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-02-13 15:33:29 +00:00
parent e883c3c2fa
commit 1217612ab6
143 changed files with 616 additions and 600 deletions
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2
src/ASPHERE/compute_erotate_asphere.h
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@ -52,7 +52,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute erotate/asphere requires atom style ellipsoid or line or tri
UNDOCUMENTED
Self-explanatory.
E: Compute erotate/asphere requires extended particles

2
src/ASPHERE/compute_temp_asphere.h
View File

@ -60,7 +60,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute temp/asphere requires atom style ellipsoid
UNDOCUMENTED
Self-explanatory.
E: Compute temp/asphere requires extended particles

2
src/ASPHERE/fix_nh_asphere.h
View File

@ -41,7 +41,7 @@ class FixNHAsphere : public FixNH {
E: Compute nvt/nph/npt asphere requires atom style ellipsoid
UNDOCUMENTED
Self-explanatory.
E: Fix nvt/nph/npt asphere requires extended particles

2
src/ASPHERE/fix_nve_asphere.h
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@ -44,7 +44,7 @@ class FixNVEAsphere : public FixNVE {
E: Compute nve/asphere requires atom style ellipsoid
UNDOCUMENTED
Self-explanatory.
E: Fix nve/asphere requires extended particles

4
src/ASPHERE/fix_nve_asphere_noforce.h
View File

@ -50,10 +50,10 @@ command-line option when running LAMMPS to see the offending line.
E: Fix nve/asphere/noforce requires atom style ellipsoid
UNDOCUMENTED
Self-explanatory.
E: Fix nve/asphere/noforce requires extended particles
UNDOCUMENTED
One of the particles is not an ellipsoid.
*/

6
src/ASPHERE/fix_nve_line.h
View File

@ -53,14 +53,14 @@ command-line option when running LAMMPS to see the offending line.
E: Fix nve/line requires atom style line
UNDOCUMENTED
Self-explanatory.
E: Fix nve/line can only be used for 2d simulations
UNDOCUMENTED
Self-explanatory.
E: Fix nve/line requires line particles
UNDOCUMENTED
Self-explanatory.
*/

2
src/ASPHERE/fix_nve_tri.cpp
View File

@ -58,7 +58,7 @@ void FixNVETri::init()
int i,itype;
if (domain->dimension != 3)
error->all(FLERR,"Fix nve/line can only be used for 3d simulations");
error->all(FLERR,"Fix nve/tri can only be used for 3d simulations");
// check that all particles are triangles
// no point particles allowed

8
src/ASPHERE/fix_nve_tri.h
View File

@ -53,14 +53,14 @@ command-line option when running LAMMPS to see the offending line.
E: Fix nve/tri requires atom style tri
UNDOCUMENTED
Self-explanatory.
E: Fix nve/line can only be used for 3d simulations
E: Fix nve/tri can only be used for 3d simulations
UNDOCUMENTED
Self-explanatory.
E: Fix nve/tri requires tri particles
UNDOCUMENTED
Self-explanatory.
*/

6
src/ASPHERE/pair_gayberne.h
View File

@ -78,7 +78,7 @@ class PairGayBerne : public Pair {
E: Pair gayberne requires atom style ellipsoid
UNDOCUMENTED
Self-explanatory.
E: Illegal ... command
@ -92,7 +92,7 @@ Self-explanatory. Check the input script or data file.
E: Pair gayberne requires atoms with same type have same shape
UNDOCUMENTED
Self-explanatory.
E: Pair gayberne epsilon a,b,c coeffs are not all set
@ -101,6 +101,6 @@ have these 3 coefficients set at least once.
E: Bad matrix inversion in mldivide3
UNDOCUMENTED
This error should not occur unless the matrix is badly formed.
*/

2
src/ASPHERE/pair_line_lj.h
View File

@ -64,7 +64,7 @@ class PairLineLJ : public Pair {
E: Pair line/lj requires atom style line
UNDOCUMENTED
Self-explanatory.
E: Illegal ... command

2
src/ASPHERE/pair_resquared.cpp
View File

@ -328,7 +328,7 @@ void PairRESquared::init_style()
for (int i = 1; i <= atom->ntypes; i++) {
if (!atom->shape_consistency(i,shape1[i][0],shape1[i][1],shape1[i][2]))
error->all(FLERR,"Pair gayberne requires atoms with same type have same shape");
error->all(FLERR,"Pair resquared requires atoms with same type have same shape");
if (setwell[i]) {
shape2[i][0] = shape1[i][0]*shape1[i][0];
shape2[i][1] = shape1[i][1]*shape1[i][1];

8
src/ASPHERE/pair_resquared.h
View File

@ -100,7 +100,7 @@ class PairRESquared : public Pair {
E: Pair resquared requires atom style ellipsoid
UNDOCUMENTED
Self-explanatory.
E: Illegal ... command
@ -112,9 +112,9 @@ E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: Pair gayberne requires atoms with same type have same shape
E: Pair resquared requires atoms with same type have same shape
UNDOCUMENTED
Self-explanatory.
E: Pair resquared epsilon a,b,c coeffs are not all set
@ -126,6 +126,6 @@ Self-explanatory.
E: Bad matrix inversion in mldivide3
UNDOCUMENTED
This error should not occur unless the matrix is badly formed.
*/

2
src/ASPHERE/pair_tri_lj.h
View File

@ -64,7 +64,7 @@ class PairTriLJ : public Pair {
E: Pair tri/lj requires atom style tri
UNDOCUMENTED
Self-explanatory.
E: Illegal ... command

2
src/CLASS2/dihedral_class2.h
View File

@ -60,7 +60,7 @@ class DihedralClass2 : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
to check your simulation geometry. :dd
to check your simulation geometry.
E: Invalid coeffs for this dihedral style

2
src/CLASS2/improper_class2.h
View File

@ -55,7 +55,7 @@ class ImproperClass2 : public Improper {
W: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry. :dd
to check your simulation geometry.
E: Incorrect args for improper coefficients

4
src/COLLOID/fix_wall_colloid.h
View File

@ -44,11 +44,11 @@ class FixWallColloid : public FixWall {
E: Fix wall/colloid requires atom style sphere
UNDOCUMENTED
Self-explanatory.
E: Fix wall/colloid requires extended particles
Self-explanatory.
One of the particles has radius 0.0.
E: Particle on or inside fix wall surface

4
src/COLLOID/pair_yukawa_colloid.h
View File

@ -43,10 +43,10 @@ class PairYukawaColloid : public PairYukawa {
E: Pair yukawa/colloid requires atom style sphere
UNDOCUMENTED
Self-explantory.
E: Pair yukawa/colloid requires atoms with same type have same radius
UNDOCUMENTED
Self-explantory.
*/

2
src/DIPOLE/pair_dipole_cut.h
View File

@ -65,6 +65,6 @@ Self-explanatory. Check the input script or data file.
E: Pair dipole/cut requires atom attributes q, mu, torque
UNDOCUMENTED
The atom style defined does not have these attributes.
*/

8
src/FLD/pair_brownian.h
View File

@ -71,18 +71,18 @@ Self-explanatory. Check the input script or data file.
E: Pair brownian requires atom style sphere
UNDOCUMENTED
Self-explanatory.
W: Pair brownian needs newton pair on for momentum conservation
UNDOCUMENTED
Self-explanatory.
E: Pair brownian requires extended particles
UNDOCUMENTED
One of the particles has radius 0.0.
E: Pair brownian requires monodisperse particles
UNDOCUMENTED
All particles must be the same finite size.
*/

6
src/FLD/pair_brownian_poly.h
View File

@ -42,14 +42,14 @@ class PairBrownianPoly : public PairBrownian {
E: Pair brownian/poly requires newton pair off
UNDOCUMENTED
Self-explanatory.
E: Pair brownian/poly requires atom style sphere
UNDOCUMENTED
Self-explanatory.
E: Pair brownian/poly requires extended particles
UNDOCUMENTED
One of the particles has radius 0.0.
*/

6
src/FLD/pair_lubricate.h
View File

@ -72,7 +72,7 @@ Self-explanatory. Check the input script or data file.
E: Pair lubricate requires atom style sphere
UNDOCUMENTED
Self-explanatory.
E: Pair lubricate requires ghost atoms store velocity
@ -80,10 +80,10 @@ Use the communicate vel yes command to enable this.
E: Pair lubricate requires monodisperse particles
UNDOCUMENTED
All particles must be the same finite size.
E: Using pair lubricate with inconsistent fix deform remap option
UNDOCUMENTED
If fix deform is used, the remap v option is required.
*/

6
src/FLD/pair_lubricateU.h
View File

@ -87,14 +87,14 @@ Self-explanatory. Check the input script or data file.
E: Pair lubricateU requires atom style sphere
UNDOCUMENTED
Self-explanatory.
E: Pair lubricateU requires ghost atoms store velocity
UNDOCUMENTED
Use the communicate vel yes command to enable this.
E: Pair lubricateU requires monodisperse particles
UNDOCUMENTED
All particles must be the same finite size.
*/

8
src/FLD/pair_lubricateU_poly.h
View File

@ -54,18 +54,18 @@ command-line option when running LAMMPS to see the offending line.
E: Pair lubricateU/poly requires newton pair off
UNDOCUMENTED
Self-explanatory.
E: Pair lubricateU/poly requires ghost atoms store velocity
UNDOCUMENTED
Use the communicate vel yes command to enable this.
E: Pair lubricate/poly requires atom style sphere
UNDOCUMENTED
Self-explanatory.
E: Pair lubricate/poly requires extended particles
UNDOCUMENTED
One of the particles has radius 0.0.
*/

10
src/FLD/pair_lubricate_poly.h
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@ -41,22 +41,22 @@ class PairLubricatePoly : public PairLubricate {
E: Pair lubricate/poly requires newton pair off
UNDOCUMENTED
Self-explanatory.
E: Pair lubricate/poly requires ghost atoms store velocity
UNDOCUMENTED
Use the communicate vel yes command to enable this.
E: Pair lubricate/poly requires atom style sphere
UNDOCUMENTED
Self-explanatory.
E: Pair lubricate/poly requires extended particles
UNDOCUMENTED
One of the particles has radius 0.0.
E: Using pair lubricate/poly with inconsistent fix deform remap option
UNDOCUMENTED
If fix deform is used, the remap v option is required.
*/

10
src/GPU/fix_gpu.h
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@ -50,7 +50,8 @@ class FixGPU : public Fix {
E: Cannot use fix GPU with USER-CUDA mode enabled
UNDOCUMENTED
You cannot use both the GPU and USER-CUDA packages
together. Use one or the other.
E: Illegal ... command
@ -65,11 +66,12 @@ in LAMMPS.
E: Cannot use force/hybrid_neigh with triclinic box
UNDOCUMENTED
Self-explanatory.
E: No OpenMP support compiled in
UNDOCUMENTED
An OpenMP flag is set, but LAMMPS was not built with
OpenMP support.
E: Cannot use pair hybrid with GPU neighbor builds
@ -77,7 +79,7 @@ See documentation for fix gpu.
E: Fix GPU split must be positive for hybrid pair styles
UNDOCUMENTED
Self-explanatory.
E: Cannot use neigh_modify exclude with GPU neighbor builds

46
src/GPU/gpu_extra.h
View File

@ -56,8 +56,52 @@ namespace GPU_EXTRA {
inline void gpu_ready(LAMMPS_NS::Modify *modify, LAMMPS_NS::Error *error) {
int ifix = modify->find_fix("package_gpu");
if (ifix < 0)
error->all(FLERR,"The 'package gpu' command is required for /gpu styles");
error->all(FLERR,"The package gpu command is required for gpu styles");
};
}
#endif
/* ERROR/WARNING messages:
E: Accelerated style in input script but no fix gpu
UNDOCUMENTED
E: Could not find/initialize a specified accelerator device
UNDOCUMENTED
E: Insufficient memory on accelerator
UNDOCUMENTED
E: GPU library not compiled for this accelerator
UNDOCUMENTED
E: Double precision is not supported on this accelerator
UNDOCUMENTED
E: Unable to initialize accelerator for use
UNDOCUMENTED
E: Accelerator sharing is not currently supported on system
UNDOCUMENTED
E: GPU particle split must be set to 1 for this pair style.
UNDOCUMENTED
E: Unknown error in GPU library
UNDOCUMENTED
E: The package gpu command is required for gpu styles
UNDOCUMENTED
*/

9
src/GPU/pair_buck_coul_cut_gpu.h
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@ -49,14 +49,11 @@ class PairBuckCoulCutGPU : public PairBuckCoulCut {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with buck/coul/cut/gpu pair style
UNDOCUMENTED
U: Pair style buck/coul/cut/gpu requires atom attribute q
The atom style defined does not have this attribute.
Self-explanatory.
*/

8
src/GPU/pair_buck_coul_long_gpu.h
View File

@ -49,7 +49,8 @@ class PairBuckCoulLongGPU : public PairBuckCoulLong {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Pair style buck/coul/long/gpu requires atom attribute q
@ -57,10 +58,11 @@ The atom style defined does not have this attribute.
E: Cannot use newton pair with buck/coul/long/gpu pair style
UNDOCUMENTED
Self-explanatory.
E: Pair style is incompatible with KSpace style
UNDOCUMENTED
If a pair style with a long-range Coulombic component is selected,
then a kspace style must also be used.
*/

5
src/GPU/pair_buck_gpu.h
View File

@ -49,10 +49,11 @@ class PairBuckGPU : public PairBuck {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with buck/gpu pair style
UNDOCUMENTED
Self-explanatory.
*/

7
src/GPU/pair_coul_long_gpu.h
View File

@ -49,15 +49,16 @@ class PairCoulLongGPU : public PairCoulLong {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Pair style coul/long/gpu requires atom attribute q
UNDOCUMENTED
The atom style defined does not have these attributes.
E: Cannot use newton pair with coul/long/gpu pair style
UNDOCUMENTED
Self-explanatory.
E: Pair style is incompatible with KSpace style

10
src/GPU/pair_eam_alloy_gpu.h
View File

@ -44,18 +44,20 @@ public:
E: Incorrect args for pair coefficients
UNDOCUMENTED
Self-explanatory. Check the input script or data file.
E: No matching element in EAM potential file
UNDOCUMENTED
The EAM potential file does not contain elements that match the
requested elements.
E: Cannot open EAM potential file %s
UNDOCUMENTED
The specified EAM potential file cannot be opened. Check that the
path and name are correct.
E: Incorrect element names in EAM potential file
UNDOCUMENTED
The element names in the EAM file do not match those requested.
*/

10
src/GPU/pair_eam_fs_gpu.h
View File

@ -44,18 +44,20 @@ public:
E: Incorrect args for pair coefficients
UNDOCUMENTED
Self-explanatory. Check the input script or data file.
E: No matching element in EAM potential file
UNDOCUMENTED
The EAM potential file does not contain elements that match the
requested elements.
E: Cannot open EAM potential file %s
UNDOCUMENTED
The specified EAM potential file cannot be opened. Check that the
path and name are correct.
E: Incorrect element names in EAM potential file
UNDOCUMENTED
The element names in the EAM file do not match those requested.
*/

5
src/GPU/pair_eam_gpu.h
View File

@ -56,11 +56,12 @@ class PairEAMGPU : public PairEAM {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with eam/gpu pair style
UNDOCUMENTED
Self-explanatory.
E: Not allocate memory eam/gpu pair style

2
src/GPU/pair_gayberne_gpu.cpp
View File

@ -74,7 +74,7 @@ PairGayBerneGPU::PairGayBerneGPU(LAMMPS *lmp) : PairGayBerne(lmp),
{
avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid");
if (!avec)
error->all(FLERR,"Pair gayberne requires atom style ellipsoid");
error->all(FLERR,"Pair gayberne/gpu requires atom style ellipsoid");
quat_nmax = 0;
quat = NULL;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);

15
src/GPU/pair_gayberne_gpu.h
View File

@ -49,24 +49,21 @@ class PairGayBerneGPU : public PairGayBerne {
/* ERROR/WARNING messages:
E: Pair gayberne requires atom style ellipsoid
E: Pair gayberne/gpu requires atom style ellipsoid
UNDOCUMENTED
Self-explanatory.
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with gayberne/gpu pair style
UNDOCUMENTED
E: Pair gayberne/gpu requires atom style ellipsoid
UNDOCUMENTED
Self-explanatory.
E: Pair gayberne/gpu requires atoms with same type have same shape
UNDOCUMENTED
Self-explanatory.
*/

5
src/GPU/pair_lj96_cut_gpu.h
View File

@ -49,10 +49,11 @@ class PairLJ96CutGPU : public PairLJ96Cut {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with lj96/cut/gpu pair style
UNDOCUMENTED
Self-explanatory.
*/

7
src/GPU/pair_lj_charmm_coul_long_gpu.h
View File

@ -49,15 +49,16 @@ class PairLJCharmmCoulLongGPU : public PairLJCharmmCoulLong {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Pair style lj/charmm/coul/long/gpu requires atom attribute q
UNDOCUMENTED
The atom style defined does not have this attribute.
E: Cannot use newton pair with lj/charmm/coul/long/gpu pair style
UNDOCUMENTED
Self-explanatory.
E: Pair style is incompatible with KSpace style

7
src/GPU/pair_lj_class2_coul_long_gpu.h
View File

@ -49,15 +49,16 @@ class PairLJClass2CoulLongGPU : public PairLJClass2CoulLong {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Pair style lj/class2/coul/long/gpu requires atom attribute q
UNDOCUMENTED
The atom style defined does not have this attribute.
E: Cannot use newton pair with lj/class2/coul/long/gpu pair style
UNDOCUMENTED
Self-explanatory.
E: Pair style is incompatible with KSpace style

5
src/GPU/pair_lj_class2_gpu.h
View File

@ -49,10 +49,11 @@ class PairLJClass2GPU : public PairLJClass2 {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with lj/class2/gpu pair style
UNDOCUMENTED
Self-explanatory.
*/

7
src/GPU/pair_lj_cut_coul_cut_gpu.h
View File

@ -49,14 +49,15 @@ class PairLJCutCoulCutGPU : public PairLJCutCoulCut {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Pair style lj/cut/coul/cut/gpu requires atom attribute q
UNDOCUMENTED
The atom style defined does not have this attribute.
E: Cannot use newton pair with lj/cut/coul/cut/gpu pair style
UNDOCUMENTED
Self-explanatory.
*/

7
src/GPU/pair_lj_cut_coul_long_gpu.h
View File

@ -49,15 +49,16 @@ class PairLJCutCoulLongGPU : public PairLJCutCoulLong {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Pair style lj/cut/coul/long/gpu requires atom attribute q
UNDOCUMENTED
The atom style defined does not have this attribute.
E: Cannot use newton pair with lj/cut/coul/long/gpu pair style
UNDOCUMENTED
Self-explanatory.
E: Pair style is incompatible with KSpace style

5
src/GPU/pair_lj_cut_gpu.h
View File

@ -49,10 +49,11 @@ class PairLJCutGPU : public PairLJCut {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with lj/cut/gpu pair style
UNDOCUMENTED
Self-explanatory.
*/

5
src/GPU/pair_lj_expand_gpu.h
View File

@ -49,10 +49,11 @@ class PairLJExpandGPU : public PairLJExpand {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with lj/expand/gpu pair style
UNDOCUMENTED
Self-explanatory.
*/

10
src/GPU/pair_lj_sdk_coul_long_gpu.h
View File

@ -51,18 +51,20 @@ class PairLJSDKCoulLongGPU : public PairLJSDKCoulLong {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Pair style lj/sdk/coul/long/gpu requires atom attribute q
UNDOCUMENTED
The atom style defined does not have this attribute.
E: Cannot use newton pair with lj/sdk/coul/long/gpu pair style
UNDOCUMENTED
Self-explanatory.
E: Pair style is incompatible with KSpace style
UNDOCUMENTED
If a pair style with a long-range Coulombic component is selected,
then a kspace style must also be used.
*/

5
src/GPU/pair_lj_sdk_gpu.h
View File

@ -51,10 +51,11 @@ class PairLJSDKGPU : public PairLJSDK {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with lj/sdk/gpu pair style
UNDOCUMENTED
Self-explanatory.
*/

5
src/GPU/pair_morse_gpu.h
View File

@ -49,10 +49,11 @@ class PairMorseGPU : public PairMorse {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with morse/gpu pair style
UNDOCUMENTED
Self-explanatory.
*/

2
src/GPU/pair_resquared_gpu.cpp
View File

@ -73,7 +73,7 @@ PairRESquaredGPU::PairRESquaredGPU(LAMMPS *lmp) : PairRESquared(lmp),
{
avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid");
if (!avec)
error->all(FLERR,"Pair gayberne requires atom style ellipsoid");
error->all(FLERR,"Pair resquared/gpu requires atom style ellipsoid");
quat_nmax = 0;
quat = NULL;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);

15
src/GPU/pair_resquared_gpu.h
View File

@ -49,24 +49,21 @@ class PairRESquaredGPU : public PairRESquared {
/* ERROR/WARNING messages:
E: Pair gayberne requires atom style ellipsoid
E: Pair resquared/gpu requires atom style ellipsoid
UNDOCUMENTED
Self-explanatory.
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with resquared/gpu pair style
UNDOCUMENTED
E: Pair resquared/gpu requires atom style ellipsoid
UNDOCUMENTED
Self-explanatory.
E: Pair resquared/gpu requires atoms with same type have same shape
UNDOCUMENTED
Self-explanatory.
*/

7
src/GPU/pair_table_gpu.h
View File

@ -49,15 +49,16 @@ class PairTableGPU : public PairTable {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with table/gpu pair style
UNDOCUMENTED
Self-explanatory.
E: Pair distance < table inner cutoff
UNDOCUMENTED
Two atoms are closer together than the pairwise table allows.
E: Pair distance > table outer cutoff

5
src/GPU/pair_yukawa_gpu.h
View File

@ -49,10 +49,11 @@ class PairYukawaGPU : public PairYukawa {
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Cannot use newton pair with yukawa/gpu pair style
UNDOCUMENTED
Self-explanatory.
*/

7
src/GPU/pppm_gpu.h
View File

@ -1,4 +1,4 @@
/* ----------------------------------------------------------------------
ndoc/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
@ -67,11 +67,12 @@ command-line option when running LAMMPS to see the offending line.
E: Cannot use order greater than 8 with pppm/gpu.
UNDOCUMENTED
Self-explanatory.
E: Out of memory on GPGPU
UNDOCUMENTED
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
E: Out of range atoms - cannot compute PPPM

2
src/GRANULAR/fix_wall_gran.h
View File

@ -85,7 +85,7 @@ command-line option when running LAMMPS to see the offending line.
E: Fix wall/gran requires atom style sphere
UNDOCUMENTED
Self-explanatory.
E: Cannot use wall in periodic dimension

2
src/GRANULAR/pair_gran_hooke_history.h
View File

@ -80,7 +80,7 @@ Self-explanatory. Check the input script or data file.
E: Pair granular requires atom style sphere
UNDOCUMENTED
Self-explanatory.
E: Pair granular requires ghost atoms store velocity

21
src/KIM/pair_kim.cpp
View File

@ -35,8 +35,6 @@
using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
PairKIM::PairKIM(LAMMPS *lmp) : Pair(lmp)
@ -298,7 +296,7 @@ void PairKIM::coeff(int narg, char **arg)
void PairKIM::init_style()
{
if (force->newton_pair != 0)
error->all(FLERR,"Pair style pair_KIM requires newton pair Off");
error->all(FLERR,"Pair style kim requires newton pair off");
// setup onebuf for neighbors of one atom if needed
@ -460,14 +458,14 @@ int PairKIM::get_neigh(void **kimmdl,int *mode,int *request,
self->pointsto =0;
*numnei=0;
return KIM_STATUS_NEIGH_ITER_INIT_OK; //succsesful restart
} else if(*request==1){//increment iterator
if (self->pointsto > inum || inum <0){
} else if (*request==1) { //increment iterator
if (self->pointsto > inum || inum <0) {
self->error->one(FLERR,"KIM neighbor iterator exceeded range");
}else if(self->pointsto == inum) {
} else if (self->pointsto == inum) {
self->pointsto ==0;
*numnei=0;
return KIM_STATUS_NEIGH_ITER_PAST_END; //reached end by iterator
}else{
} else{
*atom = ilist[self->pointsto];
*numnei = numneigh[*atom];
@ -486,7 +484,7 @@ int PairKIM::get_neigh(void **kimmdl,int *mode,int *request,
if (*numnei > KIM_API_MAX_NEIGHBORS)
return KIM_STATUS_NEIGH_TOO_MANY_NEIGHBORS;
if (pkim->support_Rij){
for( jj=0; jj < *numnei; jj++){
for (jj=0; jj < *numnei; jj++){
int i = *atom;
j = (*nei1atom)[jj];
self->Rij[jj*3 +0] = -x[i*3+0] + x[j*3+0];
@ -531,10 +529,9 @@ int PairKIM::get_neigh(void **kimmdl,int *mode,int *request,
}
}
return KIM_STATUS_OK;//successful end
}else{
return KIM_STATUS_NEIGH_INVALID_MODE;//invalid mode
}
return -16;//should not get here: unspecified error
} else return KIM_STATUS_NEIGH_INVALID_MODE;//invalid mode
return -16; //should not get here: unspecified error
}
/* ---------------------------------------------------------------------- */

24
src/KIM/pair_kim.h
View File

@ -117,34 +117,40 @@ class PairKIM : public Pair {
E: Illegal ... command
UNDOCUMENTED
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Incorrect args for pair coefficients
UNDOCUMENTED
Self-explanatory. Check the input script or data file.
E: Pair style pair_KIM requires newton pair Off
E: Pair style kim requires newton pair off
UNDOCUMENTED
Self-explanatory.
E: All pair coeffs are not set
UNDOCUMENTED
All pair coefficients must be set in the data file or by the
pair_coeff command before running a simulation.
E: KIM neighbor iterator exceeded range
UNDOCUMENTED
This error should not normally occur if the KIM library is working
correctly.
E: KIM_DIR environement variable is unset
UNDOCUMENTED
The KIM library requires that this environment variable be set before
running LAMMPS>
E: PWD environement variable is unset
UNDOCUMENTED
The KIM library requires that this environment variable be set before
running LAMMPS>
E: KIM initialization failed
UNDOCUMENTED
This is an error return from the KIM library.
*/

2
src/KSPACE/pppm_tip4p.h
View File

@ -48,7 +48,7 @@ class PPPMTIP4P : public PPPM {
E: Kspace style pppm/tip4p requires newton on
UNDOCUMENTED
Self-explanatory.
E: Out of range atoms - cannot compute PPPM

8
src/MANYBODY/pair_adp.h
View File

@ -107,14 +107,16 @@ Self-explanatory. Check the input script or data file.
E: No matching element in ADP potential file
UNDOCUMENTED
The ADP potential file does not contain elements that match the
requested elements.
E: Cannot open ADP potential file %s
UNDOCUMENTED
The specified ADP potential file cannot be opened. Check that the
path and name are correct.
E: Incorrect element names in ADP potential file
UNDOCUMENTED
The element names in the ADP file do not match those requested.
*/

4
src/MOLECULE/bond_fene.h
View File

@ -54,7 +54,7 @@ class BondFENE : public Bond {
W: FENE bond too long: %ld %d %d %g
A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up. :dd
will be truncated to attempt to prevent the bond from blowing up.
E: Bad FENE bond
@ -72,6 +72,6 @@ Most FENE models need this setting for the special_bonds command.
W: FENE bond too long: %ld %g
A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up. :dd
will be truncated to attempt to prevent the bond from blowing up.
*/

4
src/MOLECULE/bond_fene_expand.h
View File

@ -54,7 +54,7 @@ class BondFENEExpand : public Bond {
W: FENE bond too long: %ld %d %d %g
A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up. :dd
will be truncated to attempt to prevent the bond from blowing up.
E: Bad FENE bond
@ -72,6 +72,6 @@ Most FENE models need this setting for the special_bonds command.
W: FENE bond too long: %ld %g
A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up. :dd
will be truncated to attempt to prevent the bond from blowing up.
*/

2
src/MOLECULE/dihedral_charmm.h
View File

@ -54,7 +54,7 @@ class DihedralCharmm : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
to check your simulation geometry. :dd
to check your simulation geometry.
E: Incorrect args for dihedral coefficients

2
src/MOLECULE/dihedral_harmonic.h
View File

@ -51,7 +51,7 @@ class DihedralHarmonic : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
to check your simulation geometry. :dd
to check your simulation geometry.
E: Incorrect args for dihedral coefficients

2
src/MOLECULE/dihedral_helix.h
View File

@ -50,7 +50,7 @@ class DihedralHelix : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
to check your simulation geometry. :dd
to check your simulation geometry.
E: Incorrect args for dihedral coefficients

2
src/MOLECULE/dihedral_multi_harmonic.h
View File

@ -50,7 +50,7 @@ class DihedralMultiHarmonic : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
to check your simulation geometry. :dd
to check your simulation geometry.
E: Incorrect args for dihedral coefficients

2
src/MOLECULE/dihedral_opls.h
View File

@ -50,7 +50,7 @@ class DihedralOPLS : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
to check your simulation geometry. :dd
to check your simulation geometry.
E: Incorrect args for dihedral coefficients

2
src/MOLECULE/improper_cvff.h
View File

@ -51,7 +51,7 @@ class ImproperCvff : public Improper {
W: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry. :dd
to check your simulation geometry.
E: Incorrect args for improper coefficients

2
src/MOLECULE/improper_harmonic.h
View File

@ -50,7 +50,7 @@ class ImproperHarmonic : public Improper {
W: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry. :dd
to check your simulation geometry.
E: Incorrect args for improper coefficients

2
src/MOLECULE/improper_umbrella.h
View File

@ -50,7 +50,7 @@ class ImproperUmbrella : public Improper {
W: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry. :dd
to check your simulation geometry.
E: Incorrect args for improper coefficients

2
src/PERI/pair_peri_lps.h
View File

@ -83,7 +83,7 @@ pair_coeff command before running a simulation.
E: Pair style peri requires atom style peri
UNDOCUMENTED
Self-explanatory.
E: Pair peri requires an atom map, see atom_modify

2
src/PERI/pair_peri_pmb.h
View File

@ -76,7 +76,7 @@ pair_coeff command before running a simulation.
E: Pair style peri requires atom style peri
UNDOCUMENTED
Self-explanatory.
E: Pair peri requires an atom map, see atom_modify

2
src/REPLICA/neb.h
View File

@ -106,7 +106,7 @@ for NEB.
E: Too many timesteps
UNDOCUMENTED
The cummulative timesteps must fit in a 64-bit integer.
E: Incorrect format in NEB coordinate file

2
src/REPLICA/prd.h
View File

@ -120,7 +120,7 @@ after the PRD simulation.
E: Too many timesteps
UNDOCUMENTED
The cummulative timesteps must fit in a 64-bit integer.
E: Cannot use PRD with a time-dependent fix defined

2
src/REPLICA/tad.h
View File

@ -144,7 +144,7 @@ after the PRD simulation.
E: Too many timesteps
UNDOCUMENTED
The cummulative timesteps must fit in a 64-bit integer.
E: Too many iterations

2
src/REPLICA/temper.h
View File

@ -96,7 +96,7 @@ temperature (nvt or langevin).
E: Too many timesteps
UNDOCUMENTED
The cummulative timesteps must fit in a 64-bit integer.
E: Tempering could not find thermo_pe compute

10
src/REPLICA/verlet_split.h
View File

@ -57,18 +57,20 @@ class VerletSplit : public Verlet {
E: Verlet/split requires 2 partitions
UNDOCUMENTED
See the -partition command-line switch.
E: Verlet/split requires Rspace partition size be multiple of Kspace partition size
UNDOCUMENTED
This is so there is an equal number of Rspace processors for every
Kspace processor.
E: Verlet/split requires Rspace partition layout be multiple of Kspace partition layout in each dim
UNDOCUMENTED
This is controlled by the processors command.
W: No Kspace calculation with verlet/split
UNDOCUMENTED
The 2nd partition performs a kspace calculation so the kspace_style
command must be used.
*/

6
src/SRD/fix_srd.cpp
View File

@ -1190,13 +1190,13 @@ void FixSRD::collisions_single()
sprintf(str,
"SRD particle %d started "
"inside big particle %d on step " BIGINT_FORMAT
" bounce %d\n",
" bounce %d",
atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
else
sprintf(str,
"SRD particle %d started "
"inside big particle %d on step " BIGINT_FORMAT
" bounce %d\n",
" bounce %d",
atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
error->warning(FLERR,str);
@ -1344,7 +1344,7 @@ void FixSRD::collisions_multi()
sprintf(str,
"SRD particle %d started "
"inside big particle %d on step " BIGINT_FORMAT
" bounce %d\n",
" bounce %d",
atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
error->warning(FLERR,str);

37
src/SRD/fix_srd.h
View File

@ -298,7 +298,8 @@ deform needs to be used.
W: Using fix srd with box deformation but no SRD thermostat
UNDOCUMENTED
The deformation will heat the SRD particles so this can
be dangerous.
W: Fix srd SRD moves may trigger frequent reneighboring
@ -328,17 +329,23 @@ E: Fix SRD: bad bin assignment for SRD advection
Something has gone wrong in your SRD model; try using more
conservative settings.
E: SRD particle %d started inside big particle %d on step %ld bounce %d\n
E: SRD particle %d started inside big particle %d on step %ld bounce %d
UNDOCUMENTED
See the inside keyword if you want this message to be an error vs
warning.
W: SRD particle %d started inside big particle %d on step %ld bounce %d
See the inside keyword if you want this message to be an error vs
warning.
E: Bad quadratic solve for particle/line collision
UNDOCUMENTED
This is an internal error. It should nornally not occur.
E: Bad quadratic solve for particle/tri collision
UNDOCUMENTED
This is an internal error. It should nornally not occur.
W: Fix srd particle moved outside valid domain
@ -350,11 +357,11 @@ Big particles must be extended spheriods or ellipsoids.
E: Cannot use lines with fix srd unless overlap is set
UNDOCUMENTED
This is because line segements are connected to each other.
E: Cannot use tris with fix srd unless overlap is set
UNDOCUMENTED
This is because triangles are connected to each other.
E: Fix srd requires SRD particles all have same mass
@ -366,11 +373,23 @@ This is not allowed. Make your SRD bin size smaller.
E: SRD bins for fix srd are not cubic enough
The bin shape is not within tolerance of cubic.
The bin shape is not within tolerance of cubic. See the cubic
keyword if you want this message to be an error vs warning.
W: SRD bins for fix srd are not cubic enough
The bin shape is not within tolerance of cubic. See the cubic
keyword if you want this message to be an error vs warning.
E: SRD bin size for fix srd differs from user request
Fix SRD had to adjust the bin size to fit the simulation box.
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.
W: SRD bin size for fix srd differs from user request
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.
E: Fix srd lamda must be >= 0.6 of SRD grid size

6
src/atom.h
View File

@ -277,11 +277,13 @@ atoms.
E: Incorrect bonus data format in data file
UNDOCUMENTED
See the read_data doc page for a description of how various kinds of
bonus data must be formatted for certain atom styles.
E: Invalid atom ID in Bonus section of data file
UNDOCUMENTED
Atom IDs must be positive integers and within range of defined
atoms.
E: Invalid atom ID in Bonds section of data file

4
src/atom_vec_ellipsoid.h
View File

@ -114,10 +114,10 @@ Density value cannot be <= 0.0.
E: Assigning ellipsoid parameters to non-ellipsoid atom
UNDOCUMENTED
Self-explanatory.
E: Invalid shape in Ellipsoids section of data file
UNDOCUMENTED
Self-explanatory.
*/

13
src/atom_vec_line.cpp
View File

@ -1154,17 +1154,16 @@ void AtomVecLine::consistency_check(int n, char *str)
}
if (iflag) {
char msg[128];
sprintf(msg,"BAD VECLINE PTRS: %s: %d %d: %d\n",str,comm->me,
update->ntimestep,iflag);
error->one(FLERR,msg);
printf("BAD vecline ptrs: %s: %d %d: %d\n",str,comm->me,
update->ntimestep,iflag);
MPI_Abort(world,1);
}
if (count != nlocal_bonus) {
char msg[128];
sprintf(msg,"BAD VECLINE COUNT: %s: %d %d: %d %d\n",
str,comm->me,update->ntimestep,count,nlocal_bonus);
error->one(FLERR,msg);
printf("BAD vecline count: %s: %d %d: %d %d\n",
str,comm->me,update->ntimestep,count,nlocal_bonus);
MPI_Abort(world,1);
}
}
*/

15
src/atom_vec_line.h
View File

@ -99,7 +99,7 @@ class AtomVecLine : public AtomVec {
E: Atom_style line can only be used in 2d simulations
UNDOCUMENTED
Self-explanatory.
E: Per-processor system is too big
@ -120,18 +120,11 @@ Density value cannot be <= 0.0.
E: Assigning line parameters to non-line atom
UNDOCUMENTED
Self-explanatory.
E: Inconsistent line segment in data file
UNDOCUMENTED
E: BAD VECLINE PTRS: %s: %d %d: %d\n
UNDOCUMENTED
E: BAD VECLINE COUNT: %s: %d %d: %d %d\n
UNDOCUMENTED
The end points of the line segment are not equal distances from the
center point which is the atom coordinate.
*/

12
src/atom_vec_tri.h
View File

@ -100,7 +100,7 @@ class AtomVecTri : public AtomVec {
E: Atom_style tri can only be used in 3d simulations
UNDOCUMENTED
Self-explanatory.
E: Per-processor system is too big
@ -121,18 +121,20 @@ Density value cannot be <= 0.0.
E: Assigning tri parameters to non-tri atom
UNDOCUMENTED
Self-explanatory.
E: Invalid shape in Triangles section of data file
UNDOCUMENTED
Two or more of the triangle corners are duplicate points.
E: Inconsistent triangle in data file
UNDOCUMENTED
The centroid of the triangle as defined by the corner points is not
the atom coordinate.
E: Insufficient Jacobi rotations for triangle
UNDOCUMENTED
The calculation of the intertia tensor of the triangle failed. This
should not happen if it is a reasonably shaped triangle.
*/

2
src/balance.cpp
View File

@ -87,8 +87,6 @@ void Balance::command(int narg, char **arg)
// parse arguments
if (narg < 1) error->all(FLERR,"Illegal balance command");
int dimension = domain->dimension;
int *procgrid = comm->procgrid;
xflag = yflag = zflag = NONE;

18
src/balance.h
View File

@ -74,30 +74,34 @@ class Balance : protected Pointers {
E: Balance command before simulation box is defined
UNDOCUMENTED
The balance command cannot be used before a read_data, read_restart,
or create_box command.
E: Illegal ... command
UNDOCUMENTED
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Cannot balance in z dimension for 2d simulation
UNDOCUMENTED
Self-explanatory.
E: Balance dynamic string is invalid
UNDOCUMENTED
The string can only contain the characters "x", "y", or "z".
E: Balance dynamic string is invalid for 2d simulation
UNDOCUMENTED
The string cannot contain the letter "z".
E: Lost atoms via balance: original %ld current %ld
UNDOCUMENTED
This should not occur. Report the problem to the developers.
E: Cannot open balance output file
UNDOCUMENTED
This error message can only occur if debug options
are uncommented in src/balance.cpp.
*/

5
src/change_box.cpp
View File

@ -277,7 +277,8 @@ void ChangeBox::command(int narg, char **arg)
domain->set_boundary(3,&arg[ops[i].boundindex],1);
if (domain->dimension == 2 && domain->zperiodic == 0)
error->all(FLERR,
"Cannot run 2d simulation with nonperiodic Z dimension");
"Cannot change box z boundary to "
"nonperiodic for a 2d simulation");
domain->set_initial_box();
domain->set_global_box();
domain->set_local_box();
@ -371,7 +372,7 @@ void ChangeBox::command(int narg, char **arg)
bigint natoms;
bigint nblocal = atom->nlocal;
MPI_Allreduce(&nblocal,&natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
if (natoms != atom->natoms) {
if (natoms != atom->natoms && comm->me == 0) {
char str[128];
sprintf(str,"Lost atoms via change_box: original " BIGINT_FORMAT
" current " BIGINT_FORMAT,atom->natoms,natoms);

106
src/change_box.h
View File

@ -61,7 +61,7 @@ class ChangeBox : protected Pointers {
E: Change_box command before simulation box is defined
UNDOCUMENTED
Self-explanatory.
E: Illegal ... command
@ -71,91 +71,59 @@ command-line option when running LAMMPS to see the offending line.
E: Cannot change_box after reading restart file with per-atom info
UNDOCUMENTED
E: Could not find change_box group ID
UNDOCUMENTED
E: Cannot change_box in z dimension for 2d simulation
UNDOCUMENTED
E: Change_box volume used incorrectly
UNDOCUMENTED
E: Cannot change_box in xz or yz for 2d simulation
UNDOCUMENTED
E: Use of change_box with undefined lattice
UNDOCUMENTED
E: Cannot change box tilt factors for orthogonal box
UNDOCUMENTED
E: Cannot run 2d simulation with nonperiodic Z dimension
UNDOCUMENTED
E: Cannot change box to orthogonal when tilt is non-zero
UNDOCUMENTED
E: Cannot change box ortho/triclinic with dumps defined
UNDOCUMENTED
E: Cannot change box ortho/triclinic with certain fixes defined
UNDOCUMENTED
W: Lost atoms via change_box: original %ld current %ld
UNDOCUMENTED
U: Displace_box command before simulation box is defined
Self-explanatory.
U: Cannot displace_box after reading restart file with per-atom info
This is because the restart file info cannot be migrated with the
atoms. You can get around this by performing a 0-timestep run which
will assign the restart file info to actual atoms.
U: Could not find displace_box group ID
E: Could not find change_box group ID
Group ID used in the displace_box command does not exist.
Group ID used in the change_box command does not exist.
U: Displace_box tilt factors require triclinic box
Cannot use tilt factors unless the simulation box is
non-orthogonal.
U: Cannot displace_box on a non-periodic boundary
E: Cannot change_box in z dimension for 2d simulation
Self-explanatory.
U: Use of displace_box with undefined lattice
E: Change_box volume used incorrectly
The "dim volume" option must be used immediately following one or two
settings for "dim1 ..." (and optionally "dim2 ...") and must be for a
different dimension, i.e. dim != dim1 and dim != dim2.
E: Cannot change_box in xz or yz for 2d simulation
Self-explanatory.
E: Use of change_box with undefined lattice
Must use lattice command with displace_box command if units option is
set to lattice.
U: Fix deform volume setting is invalid
E: Cannot change box tilt factors for orthogonal box
Cannot use volume style unless other dimensions are being controlled.
Cannot use tilt factors unless the simulation box is non-orthogonal.
U: Induced tilt by displace_box is too large
E: Cannot change box z boundary to nonperiodic for a 2d simulation
The final tilt value must be between -1/2 and 1/2 of the perpendicular
box length.
Self-explanatory.
U: Lost atoms via displace_box: original %ld current %ld
E: Cannot change box to orthogonal when tilt is non-zero
UNDOCUMENTED
Self-explanatory.
E: Cannot change box ortho/triclinic with dumps defined
This is because some dumps store the shape of the box. You need to
use undump to discard the dump, change the box, then redefine a new
dump.
E: Cannot change box ortho/triclinic with certain fixes defined
This is because those fixes store the shape of the box. You need to
use unfix to discard the fix, change the box, then redefine a new
fix.
W: Lost atoms via change_box: original %ld current %ld
The command options you have used caused atoms to be lost.
*/

17
src/comm.h
View File

@ -157,30 +157,33 @@ Specified cutoff must be >= 0.0.
E: Specified processors != physical processors
UNDOCUMENTED
The 3d grid of processors defined by the processors command does not
match the number of processors LAMMPS is being run on.
E: Cannot use processors part command without using partitions
UNDOCUMENTED
See the command-line -partition switch.
E: Invalid partitions in processors part command
UNDOCUMENTED
Valid partitions are numbered 1 to N and the sender and receiver
cannot be the same partition.
E: Sending partition in processors part command is already a sender
UNDOCUMENTED
Cannot specify a partition to be a sender twice.
E: Receiving partition in processors part command is already a receiver
UNDOCUMENTED
Cannot specify a partition to be a receiver twice.
E: Processors grid numa and map style are incompatible
UNDOCUMENTED
Using numa for gstyle in the processors command requires using
cart for the map option.
E: Processors part option and grid style are incompatible
UNDOCUMENTED
Cannot use gstyle numa or custom with the part option.
*/

2
src/compute_erotate_sphere.h
View File

@ -50,6 +50,6 @@ command-line option when running LAMMPS to see the offending line.
E: Compute erotate/sphere requires atom style sphere
UNDOCUMENTED
Self-explanatory.
*/

2
src/compute_pair_local.cpp
View File

@ -96,7 +96,7 @@ void ComputePairLocal::init()
for (int i = 0; i < nvalues; i++)
if (pstyle[i] == PN && pindex[i] >= force->pair->single_extra)
error->all(FLERR,"Pair style does not have single field"
error->all(FLERR,"Pair style does not have extra field"
" requested by compute pair/local");
// need an occasional half neighbor list

7
src/compute_pair_local.h
View File

@ -75,10 +75,11 @@ Self-explanatory.
E: Pair style does not support compute pair/local
The pair style does not have a single() function, so it can
not be invoked by fix bond/swap.
not be invoked by compute pair/local.
E: Pair style does not have single field requested by compute pair/local
E: Pair style does not have extra field requested by compute pair/local
UNDOCUMENTED
The pair style does not support the pN value requested by the compute
pair/local command.
*/

6
src/compute_reduce.h
View File

@ -96,7 +96,7 @@ Self-explanatory.
E: Compute reduce compute array is accessed out-of-range
Self-explanatory.
An index for the array is out of bounds.
E: Compute reduce compute does not calculate a local vector
@ -124,7 +124,7 @@ Self-explanatory.
E: Compute reduce fix array is accessed out-of-range
Self-explanatory.
An index for the array is out of bounds.
E: Compute reduce fix does not calculate a local vector
@ -148,7 +148,7 @@ Self-explanatory.
E: Fix used in compute reduce not computed at compatible time
Fixes generate their values on specific timesteps. Compute sum is
Fixes generate their values on specific timesteps. Compute reduce is
requesting a value on a non-allowed timestep.
*/

2
src/compute_reduce_region.h
View File

@ -43,7 +43,7 @@ class ComputeReduceRegion : public ComputeReduce {
E: Fix used in compute reduce not computed at compatible time
Fixes generate their values on specific timesteps. Compute sum is
Fixes generate their values on specific timesteps. Compute reduce is
requesting a value on a non-allowed timestep.
*/

27
src/compute_slice.h
View File

@ -56,54 +56,55 @@ command-line option when running LAMMPS to see the offending line.
E: Compute ID for compute slice does not exist
UNDOCUMENTED
Self-explanatory.
E: Compute slice compute does not calculate a global array
UNDOCUMENTED
Self-explanatory.
E: Compute slice compute vector is accessed out-of-range
UNDOCUMENTED
The index for the vector is out of bounds.
E: Compute slice compute does not calculate a global vector
UNDOCUMENTED
Self-explanatory.
E: Compute slice compute array is accessed out-of-range
UNDOCUMENTED
An index for the array is out of bounds.
E: Compute slice compute does not calculate global vector or array
UNDOCUMENTED
Self-explanatory.
E: Fix ID for compute slice does not exist
UNDOCUMENTED
Self-explanatory.
E: Compute slice fix does not calculate a global array
UNDOCUMENTED
Self-explanatory.
E: Compute slice fix vector is accessed out-of-range
UNDOCUMENTED
The index for the vector is out of bounds.
E: Compute slice fix does not calculate a global vector
UNDOCUMENTED
Self-explanatory.
E: Compute slice fix array is accessed out-of-range
UNDOCUMENTED
An index for the array is out of bounds.
E: Compute slice fix does not calculate global vector or array
UNDOCUMENTED
Self-explanatory.
E: Fix used in compute slice not computed at compatible time
UNDOCUMENTED
Fixes generate their values on specific timesteps. Compute slice is
requesting a value on a non-allowed timestep.
*/

2
src/compute_temp_sphere.h
View File

@ -60,7 +60,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute temp/sphere requires atom style sphere
UNDOCUMENTED
Self-explanatory.
E: Could not find compute ID for temperature bias

4
src/displace_atoms.cpp
View File

@ -211,11 +211,11 @@ void DisplaceAtoms::command(int narg, char **arg)
bigint natoms;
bigint nblocal = atom->nlocal;
MPI_Allreduce(&nblocal,&natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
if (natoms != atom->natoms) {
if (natoms != atom->natoms && comm->me == 0) {
char str[128];
sprintf(str,"Lost atoms via displace_atoms: original " BIGINT_FORMAT
" current " BIGINT_FORMAT,atom->natoms,natoms);
error->all(FLERR,str);
error->warning(FLERR,str);
}
}

4
src/displace_atoms.h
View File

@ -67,8 +67,8 @@ E: Use of displace_atoms with undefined lattice
Must use lattice command with displace_atoms command if units option
is set to lattice.
E: Lost atoms via displace_atoms: original %ld current %ld
W: Lost atoms via displace_atoms: original %ld current %ld
UNDOCUMENTED
The command options you have used caused atoms to be lost.
*/

5
src/domain.h
View File

@ -170,9 +170,4 @@ E: Both sides of boundary must be periodic
Cannot specify a boundary as periodic only on the lo or hi side. Must
be periodic on both sides.
U: Triclinic box must be periodic in skewed dimensions
This is a requirement for using a non-orthogonal box. E.g. to set a
non-zero xy tilt, both x and y must be periodic dimensions.
*/

4
src/dump_cfg.h
View File

@ -50,11 +50,11 @@ class DumpCFG : public DumpCustom {
E: Dump cfg arguments must start with 'id type xs ys zs' or 'id type xsu ysu zsu'
This is a requirement of the CFG output format. :dd
This is a requirement of the CFG output format.
E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu
UNDOCUMENTED
Self-explanatory.
E: Invalid keyword in dump cfg command

65
src/dump_image.h
View File

@ -81,11 +81,12 @@ class DumpImage : public DumpCustom {
E: Invalid dump image filename
UNDOCUMENTED
The file produced by dump image cannot be binary and must
be for a single processor.
E: Cannot dump JPG file
UNDOCUMENTED
LAMMPS was not built with the -DLAMMPS_JPEG switch in the Makefile.
E: Illegal ... command
@ -95,102 +96,88 @@ command-line option when running LAMMPS to see the offending line.
E: Dump image bond not allowed with no bond types
UNDOCUMENTED
Self-explanatory.
E: Invalid dump image theta value
UNDOCUMENTED
Theta must be between 0.0 and 180.0 inclusive.
E: Dump image persp option is not yet supported
UNDOCUMENTED
Self-explanatory.
E: Dump image requires one snapshot per file
UNDOCUMENTED
Use a "*" in the filename.
E: Dump image cannot perform sorting
UNDOCUMENTED
Self-explanatory.
E: Variable name for dump image theta does not exist
UNDOCUMENTED
Self-explanatory.
E: Variable for dump image theta is invalid style
UNDOCUMENTED
Must be an equal-style variable.
E: Variable name for dump image phi does not exist
UNDOCUMENTED
Self-explanatory.
E: Variable for dump image phi is invalid style
UNDOCUMENTED
Must be an equal-style variable.
E: Variable name for dump image center does not exist
UNDOCUMENTED
Self-explanatory.
E: Variable for dump image center is invalid style
UNDOCUMENTED
Must be an equal-style variable.
E: Variable name for dump image zoom does not exist
UNDOCUMENTED
Self-explanatory.
E: Variable for dump image zoom is invalid style
UNDOCUMENTED
Must be an equal-style variable.
E: Variable name for dump image persp does not exist
UNDOCUMENTED
Self-explanatory.
E: Variable for dump image persp is invalid style
UNDOCUMENTED
Must be an equal-style variable.
E: Invalid dump image element name
UNDOCUMENTED
The specified element name was not in the standard list of elements.
See the dump_modify doc page.
E: Invalid dump image zoom value
UNDOCUMENTED
Zoom value must be > 0.0.
E: Invalid dump image persp value
UNDOCUMENTED
Persp value must be >= 0.0.
E: Invalid color in dump_modify command
UNDOCUMENTED
The specified color name was not in the list of recognized colors.
See the dump_modify doc page.
E: Dump modify bcolor not allowed with no bond types
UNDOCUMENTED
Self-explanatory.
E: Dump modify bdiam not allowed with no bond types
UNDOCUMENTED
U: Invalid dump image up vector
UNDOCUMENTED
U: Invalid dump image color range
UNDOCUMENTED
U: Illega dump_modify command
UNDOCUMENTED
U: Invalid color map in dump_modify command
UNDOCUMENTED
Self-explanatory.
*/

14
src/fix_ave_correlate.h
View File

@ -86,15 +86,15 @@ Self-explanatory.
E: Fix ave/correlate compute does not calculate a scalar
UNDOCUMENTED
Self-explanatory.
E: Fix ave/correlate compute does not calculate a vector
UNDOCUMENTED
Self-explanatory.
E: Fix ave/correlate compute vector is accessed out-of-range
UNDOCUMENTED
The index for the vector is out of bounds.
E: Fix ID for fix ave/correlate does not exist
@ -102,15 +102,15 @@ Self-explanatory.
E: Fix ave/correlate fix does not calculate a scalar
UNDOCUMENTED
Self-explanatory.
E: Fix ave/correlate fix does not calculate a vector
UNDOCUMENTED
Self-explanatory.
E: Fix ave/correlate fix vector is accessed out-of-range
UNDOCUMENTED
The index for the vector is out of bounds.
E: Fix for fix ave/correlate not computed at compatible time
@ -123,6 +123,6 @@ Self-explanatory.
E: Fix ave/correlate variable is not equal-style variable
UNDOCUMENTED
Self-explanatory.
*/

16
src/fix_ave_time.h
View File

@ -94,13 +94,11 @@ Self-explantory.
E: Fix ave/time compute does not calculate a scalar
Only computes that calculate a scalar or vector quantity (not a
per-atom quantity) can be used with fix ave/time.
Self-explantory.
E: Fix ave/time compute does not calculate a vector
Only computes that calculate a scalar or vector quantity (not a
per-atom quantity) can be used with fix ave/time.
Self-explantory.
E: Fix ave/time compute vector is accessed out-of-range
@ -112,15 +110,15 @@ Self-explanatory.
E: Fix ave/time compute array is accessed out-of-range
Self-explanatory.
An index for the array is out of bounds.
E: Fix ave/time fix does not calculate a scalar
A fix used by fix ave/time must generate global values.
Self-explanatory.
E: Fix ave/time fix does not calculate a vector
A fix used by fix ave/time must generate global values.
Self-explanatory.
E: Fix ave/time fix vector is accessed out-of-range
@ -137,7 +135,7 @@ Self-explanatory.
E: Fix ave/time fix array is accessed out-of-range
Self-explanatory.
An index for the array is out of bounds.
E: Variable name for fix ave/time does not exist
@ -145,7 +143,7 @@ Self-explanatory.
E: Fix ave/time variable is not equal-style variable
A variable used by fix ave/time must generate a global value.
Self-explanatory.
E: Fix ave/time cannot use variable with vector mode

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