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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7743 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2012-02-09 21:03:50 +00:00
parent d850025578
commit 4a72d0fe71
29 changed files with 363 additions and 64 deletions
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4
src/GPU/pair_buck_coul_cut_gpu.h
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@ -55,8 +55,8 @@ E: Cannot use newton pair with buck/coul/cut/gpu pair style
UNDOCUMENTED
E: Pair style buck/coul/cut/gpu requires atom attribute q
U: Pair style buck/coul/cut/gpu requires atom attribute q
The atom style defined does not have this attribute.
*/
*/

14
src/GPU/pair_buck_coul_long_gpu.h
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@ -51,12 +51,16 @@ E: Out of memory on GPGPU
UNDOCUMENTED
E: Cannot use newton pair with buck/coul/long/gpu pair style
UNDOCUMENTED
E: Pair style buck/coul/long/gpu requires atom attribute q
The atom style defined does not have this attribute.
*/
E: Cannot use newton pair with buck/coul/long/gpu pair style
UNDOCUMENTED
E: Pair style is incompatible with KSpace style
UNDOCUMENTED
*/

2
src/GPU/pair_buck_gpu.h
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@ -55,4 +55,4 @@ E: Cannot use newton pair with buck/gpu pair style
UNDOCUMENTED
*/
*/

20
src/GPU/pair_eam_alloy_gpu.h
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@ -39,3 +39,23 @@ public:
#endif
#endif
/* ERROR/WARNING messages:
E: Incorrect args for pair coefficients
UNDOCUMENTED
E: No matching element in EAM potential file
UNDOCUMENTED
E: Cannot open EAM potential file %s
UNDOCUMENTED
E: Incorrect element names in EAM potential file
UNDOCUMENTED
*/

20
src/GPU/pair_eam_fs_gpu.h
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@ -39,3 +39,23 @@ public:
#endif
#endif
/* ERROR/WARNING messages:
E: Incorrect args for pair coefficients
UNDOCUMENTED
E: No matching element in EAM potential file
UNDOCUMENTED
E: Cannot open EAM potential file %s
UNDOCUMENTED
E: Incorrect element names in EAM potential file
UNDOCUMENTED
*/

2
src/GPU/pair_eam_gpu.h
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@ -66,4 +66,4 @@ E: Not allocate memory eam/gpu pair style
UNDOCUMENTED
*/
*/

19
src/GPU/pair_lj_sdk_coul_long_gpu.h
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@ -47,3 +47,22 @@ class PairLJSDKCoulLongGPU : public PairLJSDKCoulLong {
#endif
#endif
/* ERROR/WARNING messages:
E: Out of memory on GPGPU
UNDOCUMENTED
E: Pair style lj/sdk/coul/long/gpu requires atom attribute q
UNDOCUMENTED
E: Cannot use newton pair with lj/sdk/coul/long/gpu pair style
UNDOCUMENTED
E: Pair style is incompatible with KSpace style
UNDOCUMENTED
*/

12
src/GPU/pair_lj_sdk_gpu.h
View File

@ -46,3 +46,15 @@ class PairLJSDKGPU : public PairLJSDK {
}
#endif
#endif
/* ERROR/WARNING messages:
E: Out of memory on GPGPU
UNDOCUMENTED
E: Cannot use newton pair with lj/sdk/gpu pair style
UNDOCUMENTED
*/

6
src/GPU/pair_table_gpu.h
View File

@ -55,8 +55,12 @@ E: Cannot use newton pair with table/gpu pair style
UNDOCUMENTED
E: Pair distance < table inner cutoff
UNDOCUMENTED
E: Pair distance > table outer cutoff
Two atoms are further apart than the pairwise table allows.
*/
*/

2
src/GPU/pair_yukawa_gpu.h
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@ -55,4 +55,4 @@ E: Cannot use newton pair with yukawa/gpu pair style
UNDOCUMENTED
*/
*/

36
src/KIM/pair_kim.h
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@ -112,3 +112,39 @@ class PairKIM : public Pair {
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
UNDOCUMENTED
E: Incorrect args for pair coefficients
UNDOCUMENTED
E: Pair style pair_KIM requires newton pair Off
UNDOCUMENTED
E: All pair coeffs are not set
UNDOCUMENTED
E: KIM neighbor iterator exceeded range
UNDOCUMENTED
E: KIM_DIR environement variable is unset
UNDOCUMENTED
E: PWD environement variable is unset
UNDOCUMENTED
E: KIM initialization failed
UNDOCUMENTED
*/

32
src/balance.h
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@ -69,3 +69,35 @@ class Balance : protected Pointers {
#endif
#endif
/* ERROR/WARNING messages:
E: Balance command before simulation box is defined
UNDOCUMENTED
E: Illegal ... command
UNDOCUMENTED
E: Cannot balance in z dimension for 2d simulation
UNDOCUMENTED
E: Balance dynamic string is invalid
UNDOCUMENTED
E: Balance dynamic string is invalid for 2d simulation
UNDOCUMENTED
E: Lost atoms via balance: original %ld current %ld
UNDOCUMENTED
E: Cannot open balance output file
UNDOCUMENTED
*/

72
src/change_box.h
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@ -59,9 +59,9 @@ class ChangeBox : protected Pointers {
/* ERROR/WARNING messages:
E: Displace_box command before simulation box is defined
E: Change_box command before simulation box is defined
Self-explanatory.
UNDOCUMENTED
E: Illegal ... command
@ -69,40 +69,92 @@ 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 displace_box after reading restart file with per-atom info
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.
E: Could not find displace_box group ID
U: Could not find displace_box group ID
Group ID used in the displace_box command does not exist.
E: Displace_box tilt factors require triclinic box
U: Displace_box tilt factors require triclinic box
Cannot use tilt factors unless the simulation box is
non-orthogonal.
E: Cannot displace_box on a non-periodic boundary
U: Cannot displace_box on a non-periodic boundary
Self-explanatory.
E: Use of displace_box with undefined lattice
U: Use of displace_box with undefined lattice
Must use lattice command with displace_box command if units option is
set to lattice.
E: Fix deform volume setting is invalid
U: Fix deform volume setting is invalid
Cannot use volume style unless other dimensions are being controlled.
E: Induced tilt by displace_box is too large
U: Induced tilt by displace_box is too large
The final tilt value must be between -1/2 and 1/2 of the perpendicular
box length.
E: Lost atoms via displace_box: original %ld current %ld
U: Lost atoms via displace_box: original %ld current %ld
UNDOCUMENTED

4
src/comm.h
View File

@ -155,6 +155,10 @@ E: Invalid cutoff in communicate command
Specified cutoff must be >= 0.0.
E: Specified processors != physical processors
UNDOCUMENTED
E: Cannot use processors part command without using partitions
UNDOCUMENTED

10
src/domain.h
View File

@ -137,11 +137,6 @@ E: Cannot skew triclinic box in z for 2d simulation
Self-explanatory.
E: 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.
E: Triclinic box skew is too large
The displacement in a skewed direction must be less than half the box
@ -175,4 +170,9 @@ 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.
*/

32
src/dump_image.h
View File

@ -165,26 +165,10 @@ E: Invalid dump image persp value
UNDOCUMENTED
E: Invalid dump image up vector
UNDOCUMENTED
E: Invalid dump image color range
UNDOCUMENTED
E: Invalid color in dump_modify command
UNDOCUMENTED
E: Illega dump_modify command
UNDOCUMENTED
E: Invalid color map in dump_modify command
UNDOCUMENTED
E: Dump modify bcolor not allowed with no bond types
UNDOCUMENTED
@ -193,4 +177,20 @@ 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
*/

40
src/fix_deform.h
View File

@ -86,16 +86,13 @@ E: Fix deform tilt factors require triclinic box
Cannot deform the tilt factors of a simulation box unless it
is a triclinic (non-orthogonal) box.
E: Cannot use fix deform on a non-periodic boundary
E: Cannot use fix deform on a shrink-wrapped boundary
When specifying a change is a box dimension, the dimension must be
periodic.
UNDOCUMENTED
E: Cannot use fix deform on a 2nd non-periodic boundary
E: Cannot use fix deform tilt on a shrink-wrapped 2nd dim
When specifying a tilt factor change, the 2nd of the two dimensions
must be periodic. E.g. if the xy tilt is specified, then the y
dimension must be periodic.
UNDOCUMENTED
E: Use of fix deform with undefined lattice
@ -109,6 +106,14 @@ E: More than one fix deform
Only one fix deform can be defined at a time.
E: Variable name for fix deform does not exist
UNDOCUMENTED
E: Variable for fix deform is invalid style
UNDOCUMENTED
E: Final box dimension due to fix deform is < 0.0
Self-explanatory.
@ -117,7 +122,26 @@ E: Cannot use fix deform trate on a box with zero tilt
The trate style alters the current strain.
E: Fix deform is changing yz by too much with changing xy
E: Fix deform cannot use yz variable with xy
UNDOCUMENTED
E: Fix deform is changing yz too much with xy
UNDOCUMENTED
U: Cannot use fix deform on a non-periodic boundary
When specifying a change is a box dimension, the dimension must be
periodic.
U: Cannot use fix deform on a 2nd non-periodic boundary
When specifying a tilt factor change, the 2nd of the two dimensions
must be periodic. E.g. if the xy tilt is specified, then the y
dimension must be periodic.
U: Fix deform is changing yz by too much with changing xy
When both yz and xy are changing, it induces changes in xz if the
box must flip from one tilt extreme to another. Thus it is not

12
src/image.h
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@ -151,3 +151,15 @@ class Image : protected Pointers {
}
#endif
/* ERROR/WARNING messages:
E: Invalid image up vector
UNDOCUMENTED
E: Invalid image color range
UNDOCUMENTED
*/

6
src/neigh_derive.h
View File

@ -13,7 +13,11 @@
/* ERROR/WARNING messages:
E: Neighbor list overflow, boost neigh_modify one or page
E: Neighbor list overflow, boost neigh_modify one
UNDOCUMENTED
U: Neighbor list overflow, boost neigh_modify one or page
There are too many neighbors of a single atom. Use the neigh_modify
command to increase the neighbor page size and the max number of

6
src/neigh_full.h
View File

@ -13,7 +13,11 @@
/* ERROR/WARNING messages:
E: Neighbor list overflow, boost neigh_modify one or page
E: Neighbor list overflow, boost neigh_modify one
UNDOCUMENTED
U: Neighbor list overflow, boost neigh_modify one or page
There are too many neighbors of a single atom. Use the neigh_modify
command to increase the neighbor page size and the max number of

6
src/neigh_gran.h
View File

@ -13,7 +13,11 @@
/* ERROR/WARNING messages:
E: Neighbor list overflow, boost neigh_modify one or page
E: Neighbor list overflow, boost neigh_modify one
UNDOCUMENTED
U: Neighbor list overflow, boost neigh_modify one or page
There are too many neighbors of a single atom. Use the neigh_modify
command to increase the neighbor page size and the max number of

6
src/neigh_half_bin.h
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@ -13,7 +13,11 @@
/* ERROR/WARNING messages:
E: Neighbor list overflow, boost neigh_modify one or page
E: Neighbor list overflow, boost neigh_modify one
UNDOCUMENTED
U: Neighbor list overflow, boost neigh_modify one or page
There are too many neighbors of a single atom. Use the neigh_modify
command to increase the neighbor page size and the max number of

6
src/neigh_half_multi.h
View File

@ -13,7 +13,11 @@
/* ERROR/WARNING messages:
E: Neighbor list overflow, boost neigh_modify one or page
E: Neighbor list overflow, boost neigh_modify one
UNDOCUMENTED
U: Neighbor list overflow, boost neigh_modify one or page
There are too many neighbors of a single atom. Use the neigh_modify
command to increase the neighbor page size and the max number of

6
src/neigh_half_nsq.h
View File

@ -13,7 +13,11 @@
/* ERROR/WARNING messages:
E: Neighbor list overflow, boost neigh_modify one or page
E: Neighbor list overflow, boost neigh_modify one
UNDOCUMENTED
U: Neighbor list overflow, boost neigh_modify one or page
There are too many neighbors of a single atom. Use the neigh_modify
command to increase the neighbor page size and the max number of

6
src/neigh_respa.h
View File

@ -13,7 +13,11 @@
/* ERROR/WARNING messages:
E: Neighbor list overflow, boost neigh_modify one or page
E: Neighbor list overflow, boost neigh_modify one
UNDOCUMENTED
U: Neighbor list overflow, boost neigh_modify one or page
There are too many neighbors of a single atom. Use the neigh_modify
command to increase the neighbor page size and the max number of

16
src/pair_beck.h
View File

@ -51,3 +51,19 @@ class PairBeck : public Pair {
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
UNDOCUMENTED
E: Incorrect args for pair coefficients
UNDOCUMENTED
E: All pair coeffs are not set
UNDOCUMENTED
*/

10
src/pair_hybrid.h
View File

@ -79,11 +79,6 @@ 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: Pair style hybrid cannot use same pair style twice
The sub-style arguments of pair_style hybrid cannot be duplicated.
Check the input script.
E: Pair style hybrid cannot have hybrid as an argument
Self-explanatory.
@ -126,4 +121,9 @@ E: Coulomb cutoffs of pair hybrid sub-styles do not match
If using a Kspace solver, all Coulomb cutoffs of long pair styles must
be the same.
U: Pair style hybrid cannot use same pair style twice
The sub-style arguments of pair_style hybrid cannot be duplicated.
Check the input script.
*/

12
src/pair_lj_smooth_linear.h
View File

@ -52,3 +52,15 @@ class PairLJSmoothLinear : public Pair {
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
UNDOCUMENTED
E: Incorrect args for pair coefficients
UNDOCUMENTED
*/

8
src/thermo.h
View File

@ -207,9 +207,9 @@ E: Thermo and fix not computed at compatible times
Fixes generate values on specific timesteps. The thermo output
does not match these timesteps.
E: Could not find thermo custom variable name
E: Could not find thermo variable name
Self-explanatory.
UNDOCUMENTED
E: Too many total atoms
@ -318,6 +318,10 @@ E: Thermo fix array is accessed out-of-range
Self-explanatory.
E: Could not find thermo custom variable name
Self-explanatory.
E: Thermo custom variable is not equal-style variable
Only equal-style variables can be output with thermodynamics, not