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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11380 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-01-29 18:59:46 +00:00
parent fffe7f95b7
commit 9fe494cc6a
19 changed files with 48 additions and 291 deletions
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12
src/CLASS2/dihedral_class2.h
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@ -60,7 +60,8 @@ class DihedralClass2 : public Dihedral {
W: Dihedral problem: %d %ld %ld %ld %ld %ld
UNDOCUMENTED
Conformation of the 4 listed dihedral atoms is extreme; you may want
to check your simulation geometry.
E: Invalid coeffs for this dihedral style
@ -70,13 +71,4 @@ E: Incorrect args for dihedral coefficients
Self-explanatory. Check the input script or data file.
U: Dihedral problem: %d %ld
UNDOCUMENTED
U: 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.
*/

12
src/CLASS2/improper_class2.h
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@ -55,19 +55,11 @@ class ImproperClass2 : public Improper {
W: Improper problem: %d %ld %ld %ld %ld %ld
UNDOCUMENTED
Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry.
E: Incorrect args for improper coefficients
Self-explanatory. Check the input script or data file.
U: Improper problem: %d %ld
UNDOCUMENTED
U: 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.
*/

5
src/KSPACE/ewald.h
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@ -133,11 +133,6 @@ The kspace accuracy designated in the input must be greater than zero.
E: Cannot (yet) use K-space slab correction with compute group/group for triclinic systems
UNDOCUMENTED
U: Cannot (yet) use K-space slab correction with compute group/group
for triclinic systems
This option is not yet supported.
*/

10
src/KSPACE/ewald_disp.h
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@ -159,16 +159,6 @@ The pair style is not providing the needed epsilon or sigma values.
E: Cannot (yet) use kspace slab correction with long-range dipoles and non-neutral systems or per-atom energy
UNDOCUMENTED
U: KSpace accuracy too large to estimate G vector
Reduce the accuracy request or specify gwald explicitly
via the kspace_modify command.
U: Cannot (yet) use kspace slab correction with long-range dipoles
and non-neutral systems or per-atom energy
This feature is not yet supported.
*/

10
src/KSPACE/msm.h
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@ -194,7 +194,9 @@ The kspace accuracy designated in the input must be greater than zero.
W: Number of MSM mesh points changed to be a multiple of 2
UNDOCUMENTED
MSM requires that the number of grid points in each direction be a multiple
of two and the number of grid points in one or more directions have been
adjusted to meet this requirement.
W: Adjusting Coulombic cutoff for MSM, new cutoff = %g
@ -231,10 +233,4 @@ outside a processor's sub-domain or even the entire simulation box.
This indicates bad physics, e.g. due to highly overlapping atoms, too
large a timestep, etc.
U: Number of MSM mesh points increased to be a multiple of 2
MSM requires that the number of grid points in each direction be a multiple
of two and the number of grid points in one or more directions have been
adjusted to meet this requirement.
*/

12
src/MOLECULE/improper_cvff.h
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@ -51,19 +51,11 @@ class ImproperCvff : public Improper {
W: Improper problem: %d %ld %ld %ld %ld %ld
UNDOCUMENTED
Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry.
E: Incorrect args for improper coefficients
Self-explanatory. Check the input script or data file.
U: Improper problem: %d %ld
UNDOCUMENTED
U: 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.
*/

12
src/MOLECULE/improper_harmonic.h
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@ -50,19 +50,11 @@ class ImproperHarmonic : public Improper {
W: Improper problem: %d %ld %ld %ld %ld %ld
UNDOCUMENTED
Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry.
E: Incorrect args for improper coefficients
Self-explanatory. Check the input script or data file.
U: Improper problem: %d %ld
UNDOCUMENTED
U: 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.
*/

12
src/MOLECULE/improper_umbrella.h
View File

@ -49,19 +49,11 @@ class ImproperUmbrella : public Improper {
W: Improper problem: %d %ld %ld %ld %ld %ld
UNDOCUMENTED
Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry.
E: Incorrect args for improper coefficients
Self-explanatory. Check the input script or data file.
U: Improper problem: %d %ld
UNDOCUMENTED
U: 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.
*/

1
src/MPIIO/dump_custom_mpiio.cpp
View File

@ -123,7 +123,6 @@ void DumpCustomMPIIO::openfile()
MPI_File_set_size(mpifh,(MPI_Offset) (headerSize+sumFileSize));
currentFileSize = (headerSize+sumFileSize);
}
}

11
src/MPIIO/dump_custom_mpiio.h
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@ -86,22 +86,23 @@ format string specifies.
E: Could not find dump custom compute ID
UNDOCUMENTED
Self-explanatory.
E: Could not find dump custom fix ID
UNDOCUMENTED
Self-explanatory.
E: Dump custom and fix not computed at compatible times
UNDOCUMENTED
The fix must produce per-atom quantities on timesteps that dump custom
needs them.
E: Could not find dump custom variable name
UNDOCUMENTED
Self-explanatory.
E: Region ID for dump custom does not exist
UNDOCUMENTED
Self-explanatory.
*/

15
src/MPIIO/dump_xyz_mpiio.cpp
View File

@ -103,11 +103,8 @@ void DumpXYZMPIIO::openfile()
if (append_flag) { // append open
int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
if (err != MPI_SUCCESS) {
char str[128];
sprintf(str,"Cannot open dump file %s",filecurrent);
error->one(FLERR,str);
}
if (err != MPI_SUCCESS)
error->one(FLERR,"Cannot open dump file");
int myrank;
MPI_Comm_rank(world,&myrank);
if (myrank == 0)
@ -119,16 +116,12 @@ void DumpXYZMPIIO::openfile()
else { // replace open
int err = MPI_File_open( world, filecurrent, MPI_MODE_CREATE | MPI_MODE_APPEND | MPI_MODE_WRONLY , MPI_INFO_NULL, &mpifh);
if (err != MPI_SUCCESS) {
char str[128];
sprintf(str,"Cannot open dump file %s",filecurrent);
error->one(FLERR,str);
}
if (err != MPI_SUCCESS)
error->one(FLERR,"Cannot open dump file");
mpifo = 0;
MPI_File_set_size(mpifh,(MPI_Offset) (headerSize+sumFileSize));
currentFileSize = (headerSize+sumFileSize);
}
}

170
src/MPIIO/dump_xyz_mpiio.h
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@ -63,174 +63,14 @@ class DumpXYZMPIIO : public DumpXYZ {
/* ERROR/WARNING messages:
E: Cannot open dump file %s
E: Cannot open dump file
UNDOCUMENTED
The output file for the dump command cannot be opened. Check that the
path and name are correct.
E: Too much per-proc info for dump
UNDOCUMENTED
U: No dump custom arguments specified
The dump custom command requires that atom quantities be specified to
output to dump file.
U: Invalid attribute in dump custom command
Self-explantory.
U: Dump_modify format string is too short
There are more fields to be dumped in a line of output than
your format string specifies.
U: Could not find dump custom compute ID
The compute ID needed by dump custom to compute a per-atom quantity
does not exist.
U: Could not find dump custom fix ID
Self-explanatory.
U: Dump custom and fix not computed at compatible times
The fix must produce per-atom quantities on timesteps that dump custom
needs them.
U: Could not find dump custom variable name
Self-explanatory.
U: Region ID for dump custom does not exist
Self-explanatory.
U: Threshhold for an atom property that isn't allocated
A dump threshhold has been requested on a quantity that is
not defined by the atom style used in this simulation.
U: Dumping an atom property that isn't allocated
The chosen atom style does not define the per-atom quantity being
dumped.
U: Dumping an atom quantity that isn't allocated
Only per-atom quantities that are defined for the atom style being
used are allowed.
U: Dump custom compute does not compute per-atom info
Self-explanatory.
U: Dump custom compute does not calculate per-atom vector
Self-explanatory.
U: \n
UNDOCUMENTED
U: Dump custom compute vector is accessed out-of-range
Self-explanatory.
U: Dump custom fix does not compute per-atom info
Self-explanatory.
U: Dump custom fix does not compute per-atom vector
Self-explanatory.
U: Dump custom fix does not compute per-atom array
Self-explanatory.
U: Dump custom fix vector is accessed out-of-range
Self-explanatory.
U: Dump custom variable is not atom-style variable
Only atom-style variables generate per-atom quantities, needed for
dump output.
U: Illegal ... command
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.
U: Dump_modify region ID does not exist
Self-explanatory.
U: Dump modify element names do not match atom types
Number of element names must equal number of atom types.
U: Invalid attribute in dump modify command
Self-explantory.
U: Could not find dump modify compute ID
Self-explanatory.
U: Dump modify compute ID does not compute per-atom info
Self-explanatory.
U: Dump modify compute ID does not compute per-atom vector
Self-explanatory.
U: Dump modify compute ID does not compute per-atom array
Self-explanatory.
U: Dump modify compute ID vector is not large enough
Self-explanatory.
U: Could not find dump modify fix ID
Self-explanatory.
U: Dump modify fix ID does not compute per-atom info
Self-explanatory.
U: Dump modify fix ID does not compute per-atom vector
Self-explanatory.
U: Dump modify fix ID does not compute per-atom array
Self-explanatory.
U: Dump modify fix ID vector is not large enough
Self-explanatory.
U: Could not find dump modify variable name
Self-explanatory.
U: Dump modify variable is not atom-style variable
Self-explanatory.
U: Invalid dump_modify threshhold operator
Operator keyword used for threshold specification in not recognized.
U: Dump custom compute does not calculate per-atom array
Self-explanatory.
Number of local atoms times number of columns must fit in a 32-bit
integer for dump.
*/

2
src/domain.h
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@ -212,7 +212,7 @@ The 2nd atoms needed to compute a particular bond is missing on this
processor. Typically this is because the pairwise cutoff is set too
short or the bond has blown apart and an atom is too far away.
W: Bond atoms missing in box size check
W: Bond atom missing in box size check
The 2nd atoms needed to compute a particular bond is missing on this
processor. Typically this is because the pairwise cutoff is set too

3
src/dump_image.h
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@ -170,7 +170,8 @@ See the dump_modify doc page.
E: Invalid color map min/max values
UNDOCUMENTED
The min/max values are not consistent with either each other or
with values in the color map.
E: Invalid dump image zoom value

12
src/dump_movie.h
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@ -51,7 +51,7 @@ and must be a single file for a single processor.
E: Support for writing movies not included
UNDOCUMENTED
LAMMPS was not built with the -DLAMMPS_FFMPEG switch in the Makefile
E: Failed to open FFmpeg pipeline to file %s
@ -64,14 +64,4 @@ 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.
U: Cannot generate movie file
LAMMPS was built without the -DLAMMPS_FFMPEG switch in the Makefile
U: pipe:: Input/output error
Harmless. This happens when the pipeline to FFmpeg is closed and no
more image data is sent to be appended to the movie. FFmpeg will
simply terminate and close the movie file.
*/

12
src/input.h
View File

@ -145,7 +145,8 @@ The command is not known to LAMMPS. Check the input script.
E: Invalid use of library file() function
UNDOCUMENTED
This function is called thru the library interface. This
error should not occur. Contact the developers if it does.
E: Cannot open input script %s
@ -181,7 +182,7 @@ command-line option when running LAMMPS to see the offending line.
E: Cannot use include command within an if command
UNDOCUMENTED
Self-explanatory.
E: Cannot open logfile %s
@ -190,7 +191,7 @@ Check that the path and name are correct.
E: Cannot open print file %s
UNDOCUMENTED
Self-explanatory.
E: Angle_coeff command before simulation box is defined
@ -345,9 +346,4 @@ E: Units command after simulation box is defined
The units command cannot be used after a read_data, read_restart, or
create_box command.
U: Another input script is already being processed
Cannot attempt to open a 2nd input script, when the original file is
still being processed.
*/

3
src/kspace.cpp
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@ -473,7 +473,8 @@ void KSpace::modify_params(int narg, char **arg)
} else if (strcmp(arg[iarg],"eigtol") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
splittol = atof(arg[iarg+1]);
if (splittol >= 1.0) error->all(FLERR,"eigtol must be smaller than one");
if (splittol >= 1.0)
error->all(FLERR,"Kspace_modify eigtol must be smaller than one");
iarg += 2;
} else error->all(FLERR,"Illegal kspace_modify command");
}

7
src/kspace.h
View File

@ -183,7 +183,8 @@ class KSpace : protected Pointers {
E: KSpace style does not yet support triclinic geometries
UNDOCUMENTED
The specified kspace style does not allow for non-orthogonal
simulation boxes.
E: KSpace solver requires a pair style
@ -218,8 +219,8 @@ E: Bad kspace_modify kmax/ewald parameter
Kspace_modify values for the kmax/ewald keyword must be integers > 0
E: eigtol must be smaller than one
E: Kspace_modify eigtol must be smaller than one
UNDOCUMENTED
Self-explanatory.
*/

18
src/lammps.h
View File

@ -102,7 +102,8 @@ created.
E: Cannot open log.lammps for writing
UNDOCUMENTED
The default LAMMPS log file cannot be opened. Check that the
directory you are running in allows for files to be created.
E: Cannot open universe log file
@ -131,7 +132,7 @@ It has to be the size of an integer.
E: Imageint setting in lmptype.h is invalid
UNDOCUMENTED
Imageint must be as large or larger than smallint.
E: Tagint setting in lmptype.h is invalid
@ -151,20 +152,13 @@ The size of the MPI datatype does not match the size of a bigint.
E: Small to big integers are not sized correctly
UNDOCUMENTED
This error occurs whenthe sizes of smallint, imageint, tagint, bigint,
as defined in src/lmptype.h are not what is expected. Contact
the developers if this occurs.
E: Cannot use -cuda on without USER-CUDA installed
The USER-CUDA package must be installed via "make yes-user-cuda"
before LAMMPS is built.
U: Cannot open log.lammps
The default LAMMPS log file cannot be opened. Check that the
directory you are running in allows for files to be created.
U: Small, tag, big integers are not sized correctly
See description of these 3 data types in src/lmptype.h.
*/