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

src/CLASS2/dihedral_class2.h

@@ -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.
-
 */

src/CLASS2/improper_class2.h

@@ -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.
-
 */

src/KSPACE/ewald.h

@@ -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.
 
 */

src/KSPACE/ewald_disp.h

@@ -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.
 
 */

src/KSPACE/msm.h

@@ -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.
-
 */

src/MOLECULE/improper_cvff.h

@@ -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.
-
 */

src/MOLECULE/improper_harmonic.h

@@ -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.
-
 */

src/MOLECULE/improper_umbrella.h

@@ -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.
-
 */

src/MPIIO/dump_custom_mpiio.cpp

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

src/MPIIO/dump_custom_mpiio.h

@@ -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.
 
 */

src/MPIIO/dump_xyz_mpiio.cpp

@@ -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) {
+    if (err != MPI_SUCCESS)
-      char str[128];
+      error->one(FLERR,"Cannot open dump file");
-      sprintf(str,"Cannot open dump file %s",filecurrent);
-      error->one(FLERR,str);
-    }
     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) {
+    if (err != MPI_SUCCESS)
-      char str[128];
+      error->one(FLERR,"Cannot open dump file");
-      sprintf(str,"Cannot open dump file %s",filecurrent);
-      error->one(FLERR,str);
-    }
     mpifo = 0;
 
     MPI_File_set_size(mpifh,(MPI_Offset) (headerSize+sumFileSize));
     currentFileSize = (headerSize+sumFileSize);
-
   }
 }
 

src/MPIIO/dump_xyz_mpiio.h

@@ -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
+Number of local atoms times number of columns must fit in a 32-bit
-
+integer for dump.
-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.
 
 */

src/domain.h

@@ -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

src/dump_image.h

@@ -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
 

src/dump_movie.h

@@ -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.
-
 */

src/input.h

@@ -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.
-
 */

src/kspace.cpp

@@ -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");
   }

src/kspace.h

@@ -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.
 
 */

src/lammps.h

@@ -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.
-
 */