git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/CORESHELL/compute_temp_cs.cpp

@@ -61,12 +61,12 @@ ComputeTempCS::ComputeTempCS(LAMMPS *lmp, int narg, char **arg) :
 
   cgroup = group->find(arg[3]);
   if (cgroup == -1) 
-    error->all(FLERR,"Could not find specified group ID for core particles");
+    error->all(FLERR,"Cannot find specified group ID for core particles");
   groupbit_c = group->bitmask[cgroup];
 
   sgroup = group->find(arg[4]);
   if (sgroup == -1) 
-    error->all(FLERR,"Could not find specified group ID for shell particles");
+    error->all(FLERR,"Cannot find specified group ID for shell particles");
   groupbit_s = group->bitmask[sgroup];
 
   // create a new fix STORE style

src/CORESHELL/compute_temp_cs.h

@@ -74,47 +74,32 @@ 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: Option mol of compute temp/vcm requires molecular atom style
+E: Compute temp/cs used when bonds are not allowed
+
+This compute only works on pairs of bonded particles.
+
+E: Cannot find specified group ID for core particles
 
 Self-explanatory.
 
-E: Option prop of compute temp/vcm requires one set of parameters 
+E: Cannot find specified group ID for shell particles
-added by the property/atom fix
 
 Self-explanatory.
 
-E: Fix property/atom vector must contain only intergers to assign 
+E: Compute temp/cs requires ghost atoms store velocity
-sub-ID property
 
-Self-explanatory.
+Use the comm_modify vel yes command to enable this.
 
-E: Specified sub-ID property does not exist or has not been created 
+E: Number of core atoms != number of shell atoms
-by the property/atom fix
 
-Self-explanatory. Usually this means that the specified fix 
+There must be a one-to-one pairing of core and shell atoms.
-property/atom ID does not match the ID stated in the compute temp/vcm.
 
-E: Molecule count changed in compute com/temp/molecule
+E: Core/shell partner atom not found
 
-Number of molecules must remain constant over time.
+Could not find one of the atoms in the bond pair.
 
-E: Sub-ID count changed in compute vcm/temp
+E: Core/shell partners were not all found
 
-Number of Sub-ID groups must remain constant over time.
+Could not find or more atoms in the bond pairs.
-
-W: Atom with sub-ID = 0 included in compute group
-
-Self-explanatory. A sub-ID with value 0 will be counted as a normal sub-ID 
-and not left out of by the compute treatment. Therefore a sub-ID of 0 is to 
-be avoided.
-
-E: Too many sub-ID groups for compute
-
-Self-explanatory.
-
-W: More than 2 atoms specified with the same sub-ID, in the case 
-of a core-shell model simulation only core and shell should share the same ID
-
-Self-explanatory.
 
 */

src/DIPOLE/pair_lj_long_dipole_long.cpp

@@ -248,7 +248,7 @@ void PairLJLongDipoleLong::init_style()
 
   if (ewald_order&(1<<3)) {				// r^-1 kspace
     if (force->kspace == NULL) 
-      error->all(FLERR,"Pair style is incompatible with KSpace style");
+      error->all(FLERR,"Pair style requires a KSpace style");
     for (i=0; style3[i]&&strcmp(force->kspace_style, style3[i]); ++i);
     if (!style3[i])
       error->all(FLERR,"Pair style is incompatible with KSpace style");

src/DIPOLE/pair_lj_long_dipole_long.h

@@ -106,10 +106,9 @@ E: Pair lj/long/dipole/long requires atom attributes mu, torque
 
 The atom style defined does not have these attributes.
 
-E: Pair style is incompatible with KSpace style
+E: Pair style requires a KSpace style
 
-If a pair style with a long-range Coulombic component is selected,
+No kspace style is defined.
-then a kspace style must also be used.
 
 E: Pair style lj/long/dipole/long does not currently support respa
 

src/GPU/fix_gpu.h

@@ -50,7 +50,7 @@ class FixGPU : public Fix {
 
 /* ERROR/WARNING messages:
 
-E: Cannot use fix GPU with USER-CUDA mode enabled
+E: Cannot use GPU package with USER-CUDA package enabled
 
 You cannot use both the GPU and USER-CUDA packages
 together.  Use one or the other.
@@ -61,15 +61,6 @@ 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: Cannot use force/neigh with triclinic box
-
-This is a current limitation of the GPU implementation
-in LAMMPS.
-
-E: Cannot use force/hybrid_neigh with triclinic box
-
-Self-explanatory.
-
 E: No OpenMP support compiled in
 
 An OpenMP flag is set, but LAMMPS was not built with
@@ -87,6 +78,14 @@ E: GPU split param must be positive for hybrid pair styles
 
 See the package gpu command.
 
+E: Cannot use package gpu neigh yes with triclinic box
+
+This is a current restriction in LAMMPS.
+
+W: Using package gpu without any pair style defined
+
+Self-explanatory.
+
 E: Cannot use neigh_modify exclude with GPU neighbor builds
 
 This is a current limitation of the GPU implementation

src/GPU/pair_born_coul_long_gpu.cpp

@@ -173,7 +173,7 @@ void PairBornCoulLongGPU::init_style()
   // insure use of KSpace long-range solver, set g_ewald
 
   if (force->kspace == NULL)
-    error->all(FLERR,"Pair style is incompatible with KSpace style");
+    error->all(FLERR,"Pair style requires a KSpace style");
   g_ewald = force->kspace->g_ewald;
 
   int maxspecial=0;

src/GPU/pair_born_coul_long_gpu.h

@@ -59,9 +59,8 @@ E: Cannot use newton pair with born/coul/long/gpu pair style
 
 Self-explanatory.
 
-E: Pair style is incompatible with KSpace style
+E: Pair style requires a KSpace style
 
-If a pair style with a long-range Coulombic component is selected,
+No kspace style is defined.
-then a kspace style must also be used.
 
 */

src/GPU/pair_buck_coul_long_gpu.cpp

@@ -169,7 +169,7 @@ void PairBuckCoulLongGPU::init_style()
   // insure use of KSpace long-range solver, set g_ewald
 
   if (force->kspace == NULL)
-    error->all(FLERR,"Pair style is incompatible with KSpace style");
+    error->all(FLERR,"Pair style requires a KSpace style");
   g_ewald = force->kspace->g_ewald;
 
   int maxspecial=0;

src/GPU/pair_buck_coul_long_gpu.h

@@ -59,9 +59,8 @@ E: Cannot use newton pair with buck/coul/long/gpu pair style
 
 Self-explanatory.
 
-E: Pair style is incompatible with KSpace style
+E: Pair style requires a KSpace style
 
-If a pair style with a long-range Coulombic component is selected,
+No kspace style is defined.
-then a kspace style must also be used.
 
 */

src/GPU/pair_coul_cut_gpu.h

@@ -52,11 +52,11 @@ E: Insufficient memory on accelerator
 There is insufficient memory on one of the devices specified for the gpu
 package
 
-E: Pair style lj/cut/coul/cut/gpu requires atom attribute q
+E: Pair style coul/cut/gpu requires atom attribute q
 
 The atom style defined does not have this attribute.
 
-E: Cannot use newton pair with lj/cut/coul/cut/gpu pair style
+E: Cannot use newton pair with coul/cut/gpu pair style
 
 Self-explanatory.
 

src/GPU/pair_coul_debye_gpu.h

@@ -52,11 +52,11 @@ E: Insufficient memory on accelerator
 There is insufficient memory on one of the devices specified for the gpu
 package
 
-E: Pair style lj/cut/coul/debye/gpu requires atom attribute q
+E: Pair style coul/debye/gpu requires atom attribute q
 
 The atom style defined does not have this attribute.
 
-E: Cannot use newton pair with lj/cut/coul/debye/gpu pair style
+E: Cannot use newton pair with coul/debye/gpu pair style
 
 Self-explanatory.
 

src/GPU/pair_coul_long_gpu.cpp

@@ -152,7 +152,7 @@ void PairCoulLongGPU::init_style()
   // insure use of KSpace long-range solver, set g_ewald
 
   if (force->kspace == NULL)
-    error->all(FLERR,"Pair style is incompatible with KSpace style");
+    error->all(FLERR,"Pair style requires a KSpace style");
   g_ewald = force->kspace->g_ewald;
 
   // setup force tables

src/GPU/pair_coul_long_gpu.h

@@ -60,9 +60,8 @@ E: Cannot use newton pair with coul/long/gpu pair style
 
 Self-explanatory.
 
-E: Pair style is incompatible with KSpace style
+E: Pair style requires a KSpace style
 
-If a pair style with a long-range Coulombic component is selected,
+No kspace style is defined.
-then a kspace style must also be used.
 
 */

src/GPU/pair_dpd_gpu.h

@@ -51,7 +51,7 @@ E: Insufficient memory on accelerator
 There is insufficient memory on one of the devices specified for the gpu
 package
 
-E: Cannot use newton pair with lj/cut/gpu pair style
+E: Cannot use newton pair with dpd/gpu pair style
 
 Self-explanatory.
 

src/GPU/pair_dpd_tstat_gpu.h

@@ -51,7 +51,7 @@ E: Insufficient memory on accelerator
 There is insufficient memory on one of the devices specified for the gpu
 package
 
-E: Cannot use newton pair with lj/cut/gpu pair style
+E: Cannot use newton pair with dpd/tstat/gpu pair style
 
 Self-explanatory.
 

src/GPU/pair_lj_charmm_coul_long_gpu.cpp

@@ -150,6 +150,7 @@ void PairLJCharmmCoulLongGPU::init_style()
     error->all(FLERR,"Cannot use newton pair with lj/charmm/coul/long/gpu pair style");
 
   // Repeat cutsq calculation because done after call to init_style
+
   double cut;
   for (int i = 1; i <= atom->ntypes; i++) {
     for (int j = i; j <= atom->ntypes; j++) {
@@ -171,7 +172,7 @@ void PairLJCharmmCoulLongGPU::init_style()
   // insure use of KSpace long-range solver, set g_ewald
 
   if (force->kspace == NULL)
-    error->all(FLERR,"Pair style is incompatible with KSpace style");
+    error->all(FLERR,"Pair style requires a KSpace style");
   g_ewald = force->kspace->g_ewald;
 
   // setup force tables

src/GPU/pair_lj_charmm_coul_long_gpu.h

@@ -59,9 +59,8 @@ E: Cannot use newton pair with lj/charmm/coul/long/gpu pair style
 
 Self-explanatory.
 
-E: Pair style is incompatible with KSpace style
+E: Pair style requires a KSpace style
 
-If a pair style with a long-range Coulombic component is selected,
+No kspace style is defined.
-then a kspace style must also be used.
 
 */

src/GPU/pair_lj_class2_coul_long_gpu.cpp

@@ -166,7 +166,7 @@ void PairLJClass2CoulLongGPU::init_style()
   // insure use of KSpace long-range solver, set g_ewald
 
   if (force->kspace == NULL)
-    error->all(FLERR,"Pair style is incompatible with KSpace style");
+    error->all(FLERR,"Pair style requires a KSpace style");
   g_ewald = force->kspace->g_ewald;
 
   int maxspecial=0;

src/GPU/pair_lj_class2_coul_long_gpu.h

@@ -59,9 +59,8 @@ E: Cannot use newton pair with lj/class2/coul/long/gpu pair style
 
 Self-explanatory.
 
-E: Pair style is incompatible with KSpace style
+E: Pair style requires a KSpace style
 
-If a pair style with a long-range Coulombic component is selected,
+No kspace style is defined.
-then a kspace style must also be used.
 
 */

src/GPU/pair_lj_cut_coul_long_gpu.cpp

@@ -171,7 +171,7 @@ void PairLJCutCoulLongGPU::init_style()
   // insure use of KSpace long-range solver, set g_ewald
 
   if (force->kspace == NULL)
-    error->all(FLERR,"Pair style is incompatible with KSpace style");
+    error->all(FLERR,"Pair style requires a KSpace style");
   g_ewald = force->kspace->g_ewald;
 
   // setup force tables

src/GPU/pair_lj_cut_coul_long_gpu.h

@@ -60,9 +60,8 @@ E: Cannot use newton pair with lj/cut/coul/long/gpu pair style
 
 Self-explanatory.
 
-E: Pair style is incompatible with KSpace style
+E: Pair style requires a KSpace style
 
-If a pair style with a long-range Coulombic component is selected,
+No kspace style is defined.
-then a kspace style must also be used.
 
 */

src/GRANULAR/fix_pour.h

@@ -165,6 +165,10 @@ E: No fix gravity defined for fix pour
 
 Gravity is required to use fix pour.
 
+E: Fix pour insertion count per timestep is 0
+
+Self-explanatory.
+
 E: Cannot use fix pour with triclinic box
 
 This option is not yet supported.
@@ -218,11 +222,6 @@ E: Molecule template ID for fix pour does not exist
 
 Self-explanatory.
 
-W: Molecule template for fix pour has multiple molecules
-
-The fix pour command will only create molecules of a single type,
-i.e. the first molecule in the template.
-
 E: Fix pour polydisperse fractions do not sum to 1.0
 
 Self-explanatory.

src/KOKKOS/atom_kokkos.cpp

@@ -201,7 +201,7 @@ void AtomKokkos::sort()
   //  if (current[i] != permute[i]) flag = 1;
   //int flagall;
   //MPI_Allreduce(&flag,&flagall,1,MPI_INT,MPI_SUM,world);
-  //if (flagall) error->all(FLERR,"Atom sort did not operate correctly");
+  //if (flagall) error->Xall(FLERR,"Atom sort did not operate correctly");
 }
 
 /* ----------------------------------------------------------------------

src/KOKKOS/atom_vec_angle_kokkos.h

@@ -150,4 +150,13 @@ class AtomVecAngleKokkos : public AtomVecKokkos {
 
 /* ERROR/WARNING messages:
 
+E: Per-processor system is too big
+
+The number of owned atoms plus ghost atoms on a single
+processor must fit in 32-bit integer.
+
+E: Invalid atom type in Atoms section of data file
+
+Atom types must range from 1 to specified # of types.
+
 */

src/KOKKOS/atom_vec_atomic_kokkos.h

@@ -110,4 +110,13 @@ class AtomVecAtomicKokkos : public AtomVecKokkos {
 
 /* ERROR/WARNING messages:
 
+E: Per-processor system is too big
+
+The number of owned atoms plus ghost atoms on a single
+processor must fit in 32-bit integer.
+
+E: Invalid atom type in Atoms section of data file
+
+Atom types must range from 1 to specified # of types.
+
 */

src/KOKKOS/atom_vec_bond_kokkos.h

@@ -138,4 +138,13 @@ class AtomVecBondKokkos : public AtomVecKokkos {
 
 /* ERROR/WARNING messages:
 
+E: Per-processor system is too big
+
+The number of owned atoms plus ghost atoms on a single
+processor must fit in 32-bit integer.
+
+E: Invalid atom type in Atoms section of data file
+
+Atom types must range from 1 to specified # of types.
+
 */

src/KOKKOS/atom_vec_charge_kokkos.h

@@ -123,4 +123,13 @@ class AtomVecChargeKokkos : public AtomVecKokkos {
 
 /* ERROR/WARNING messages:
 
+E: Per-processor system is too big
+
+The number of owned atoms plus ghost atoms on a single
+processor must fit in 32-bit integer.
+
+E: Invalid atom type in Atoms section of data file
+
+Atom types must range from 1 to specified # of types.
+
 */

src/KOKKOS/atom_vec_full_kokkos.h

@@ -180,4 +180,13 @@ class AtomVecFullKokkos : public AtomVecKokkos {
 
 /* ERROR/WARNING messages:
 
+E: Per-processor system is too big
+
+The number of owned atoms plus ghost atoms on a single
+processor must fit in 32-bit integer.
+
+E: Invalid atom type in Atoms section of data file
+
+Atom types must range from 1 to specified # of types.
+
 */

src/KOKKOS/atom_vec_molecular_kokkos.h

@@ -175,4 +175,13 @@ class AtomVecMolecularKokkos : public AtomVecKokkos {
 
 /* ERROR/WARNING messages:
 
+E: Per-processor system is too big
+
+The number of owned atoms plus ghost atoms on a single
+processor must fit in 32-bit integer.
+
+E: Invalid atom type in Atoms section of data file
+
+Atom types must range from 1 to specified # of types.
+
 */

src/KOKKOS/comm_kokkos.cpp

@@ -54,6 +54,7 @@ CommKokkos::CommKokkos(LAMMPS *lmp) : CommBrick(lmp)
   // k_buf_send = ArrayTypes<LMPDeviceType>::
   //   tdual_xfloat_2d("comm:k_buf_send",(maxsend+BUFEXTRA+5)/6,6);
   // buf_send = k_buf_send.view<LMPHostType>().ptr_on_device();
+
   maxsend = 0;
   buf_send = NULL;
 
@@ -61,6 +62,7 @@ CommKokkos::CommKokkos(LAMMPS *lmp) : CommBrick(lmp)
   // k_buf_recv = ArrayTypes<LMPDeviceType>::
   //   tdual_xfloat_2d("comm:k_buf_recv",(maxrecv+5)/6,6);
   // buf_recv = k_buf_recv.view<LMPHostType>().ptr_on_device();
+
   maxrecv = 0;
   buf_recv = NULL;
 
@@ -363,7 +365,8 @@ void CommKokkos::exchange()
     if(!exchange_comm_classic) {
       static int print = 1;
       if(print) {
-        error->warning(FLERR,"Kokkos communication does not currently support fixes sending data. Switching to classic communication.");
+        error->warning(FLERR,"Fixes cannot send data in Kokkos communication, "
+		       "switching to classic communication");
         print = 0;
       }
       exchange_comm_classic = true;
@@ -768,7 +771,7 @@ void CommKokkos::borders_device() {
             nsend = total_send.h_view(0);
           } else {
             error->all(FLERR,"Required border comm not yet "
-                       "implemented with Kokkos\n");
+                       "implemented with Kokkos");
             for (i = nfirst; i < nlast; i++) {
               itype = type[i];
               if (x[i][dim] >= mlo[itype] && x[i][dim] <= mhi[itype]) {
@@ -780,7 +783,7 @@ void CommKokkos::borders_device() {
 
         } else {
           error->all(FLERR,"Required border comm not yet "
-                     "implemented with Kokkos\n");
+                     "implemented with Kokkos");
           if (style == SINGLE) {
             ngroup = atom->nfirst;
             for (i = 0; i < ngroup; i++)
@@ -819,7 +822,7 @@ void CommKokkos::borders_device() {
         grow_send_kokkos(nsend*size_border,0);
       if (ghost_velocity) {
         error->all(FLERR,"Required border comm not yet "
-                   "implemented with Kokkos\n");
+                   "implemented with Kokkos");
         n = avec->pack_border_vel(nsend,sendlist[iswap],buf_send,
                                   pbc_flag[iswap],pbc[iswap]);
       }
@@ -853,7 +856,7 @@ void CommKokkos::borders_device() {
 
       if (ghost_velocity) {
         error->all(FLERR,"Required border comm not yet "
-                   "implemented with Kokkos\n");
+                   "implemented with Kokkos");
         avec->unpack_border_vel(nrecv,atom->nlocal+atom->nghost,buf);
       }
       else

src/KOKKOS/comm_kokkos.h

@@ -73,4 +73,17 @@ class CommKokkos : public CommBrick {
 
 /* ERROR/WARNING messages:
 
+E: Ghost velocity forward comm not yet implemented with Kokkos
+
+This is a current restriction.
+
+W: Fixes cannot send data in Kokkos communication, switching to classic communication
+
+This is current restriction with Kokkos.
+
+E: Required border comm not yet implemented with Kokkos
+
+There are various limitations in the communication options supported
+by Kokkos.
+
 */

src/KOKKOS/fix_langevin_kokkos.h

@@ -214,61 +214,21 @@ namespace LAMMPS_NS {
 
 /* ERROR/WARNING messages:
 
-   E: Illegal ... command
+E: Fix langevin omega is not yet implemented with kokkos
 
-   Self-explanatory.  Check the input script syntax and compare to the
+This option is not yet available.
-   documentation for the command.  You can use -echo screen as a
-   command-line option when running LAMMPS to see the offending line.
 
-   E: Fix langevin period must be > 0.0
+E: Fix langevin angmom is not yet implemented with kokkos
 
-   The time window for temperature relaxation must be > 0
+This option is not yet available.
 
-   E: Fix langevin omega requires atom style sphere
+E: Cannot zero Langevin force of 0 atoms
 
-   Self-explanatory.
+The group has zero atoms, so you cannot request its force
+be zeroed.
 
-   E: Fix langevin angmom requires atom style ellipsoid
+E: Fix langevin variable returned negative temperature
 
-   Self-explanatory.
+Self-explanatory.
-
-   E: Variable name for fix langevin does not exist
-
-   Self-explanatory.
-
-   E: Variable for fix langevin is invalid style
-
-   It must be an equal-style variable.
-
-   E: Fix langevin omega requires extended particles
-
-   One of the particles has radius 0.0.
-
-   E: Fix langevin angmom requires extended particles
-
-   This fix option cannot be used with point paritlces.
-
-   E: Cannot zero Langevin force of 0 atoms
-
-   The group has zero atoms, so you cannot request its force
-   be zeroed.
-
-   E: Fix langevin variable returned negative temperature
-
-   Self-explanatory.
-
-   E: Could not find fix_modify temperature ID
-
-   The compute ID for computing temperature does not exist.
-
-   E: Fix_modify temperature ID does not compute temperature
-
-   The compute ID assigned to the fix must compute temperature.
-
-   W: Group for fix_modify temp != fix group
-
-   The fix_modify command is specifying a temperature computation that
-   computes a temperature on a different group of atoms than the fix
-   itself operates on.  This is probably not what you want to do.
 
 */

src/KOKKOS/kokkos.h

@@ -40,3 +40,17 @@ class KokkosLMP : protected Pointers {
 }
 
 #endif
+
+/* ERROR/WARNING messages:
+
+E: Invalid Kokkos command-line args
+
+Self-explanatory.  See Section 2.7 of the manual for details.
+
+E: 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.
+
+*/

src/KOKKOS/pair_buck_kokkos.h

@@ -118,4 +118,12 @@ class PairBuckKokkos : public PairBuck {
 
 /* ERROR/WARNING messages:
 
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+rRESPA inner/middle options are not yet supported by Kokkos.
+
+E: Cannot use chosen neighbor list style with buck/kk
+
+That style is not supported by Kokkos.
+
 */

src/KOKKOS/pair_coul_cut_kokkos.h

@@ -134,4 +134,14 @@ class PairCoulCutKokkos : public PairCoulCut {
 
 /* ERROR/WARNING messages:
 
+E: 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.
+
+E: Cannot use chosen neighbor list style with coul/cut/kk
+
+That style is not supported by Kokkos.
+
 */

src/KOKKOS/pair_coul_dsf_kokkos.h

@@ -96,4 +96,8 @@ class PairCoulDSFKokkos : public PairCoulDSF {
 
 /* ERROR/WARNING messages:
 
+E: Cannot use chosen neighbor list style with coul/dsf/kk
+
+That style is not supported by Kokkos.
+
 */

src/KOKKOS/pair_coul_wolf_kokkos.h

@@ -98,4 +98,8 @@ class PairCoulWolfKokkos : public PairCoulWolf {
 
 /* ERROR/WARNING messages:
 
+E: Cannot use chosen neighbor list style with coul/wolf/kk
+
+That style is not supported by Kokkos.
+
 */

src/KOKKOS/pair_eam_kokkos.h

@@ -172,4 +172,8 @@ class PairEAMKokkos : public PairEAM {
 
 /* ERROR/WARNING messages:
 
+E: Cannot use chosen neighbor list style with pair eam/kk
+
+That style is not supported by Kokkos.
+
 */

src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h

@@ -128,4 +128,18 @@ class PairLJCutCoulCutKokkos : public PairLJCutCoulCut {
 
 /* ERROR/WARNING messages:
 
+E: 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.
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+rRESPA inner/middle options are not yet supported by Kokkos.
+
+E: Cannot use chosen neighbor list style with lj/cut/coul/cut/kk
+
+That style is not supported by Kokkos.
+
 */

src/KOKKOS/pair_lj_cut_kokkos.h

@@ -116,4 +116,18 @@ class PairLJCutKokkos : public PairLJCut {
 
 /* ERROR/WARNING messages:
 
+E: 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.
+
+E: Cannot use Kokkos pair style with rRESPA inner/middle
+
+rRESPA inner/middle options are not yet supported by Kokkos.
+
+E: Cannot use chosen neighbor list style with lj/cut/kk
+
+That style is not supported by Kokkos.
+
 */

src/KOKKOS/pair_table_kokkos.h

@@ -293,4 +293,8 @@ When using pair style table with a long-range KSpace solver, the
 cutoffs for all atom type pairs must all be the same, since the
 long-range solver starts at that cutoff.
 
+E: Cannot use chosen neighbor list style with lj/cut/kk
+
+That style is not supported by Kokkos.
+
 */

src/KSPACE/ewald.h

@@ -115,17 +115,8 @@ This feature is not yet supported.
 
 E: KSpace style is incompatible with Pair style
 
-Setting a kspace style requires that a pair style with a long-range
+Setting a kspace style requires that a pair style with matching
-Coulombic or dispersion component be used.
+long-range Coulombic or dispersion components be used.
-
-E: Cannot use kspace solver on system with no charge
-
-No atoms in system have a non-zero charge.
-
-W: System is not charge neutral, net charge = %g
-
-The total charge on all atoms on the system is not 0.0, which
-is not valid for the long-range Coulombic solvers.
 
 E: KSpace accuracy must be > 0
 

src/KSPACE/ewald_disp.h

@@ -120,8 +120,8 @@ Must have periodic x,y dimensions and non-periodic z dimension to use
 
 E: KSpace style is incompatible with Pair style
 
-Setting a kspace style requires that a pair style with a long-range
+Setting a kspace style requires that a pair style with matching
-Coulombic or dispersion component be used.
+long-range Coulombic or dispersion components be used.
 
 E: Unsupported mixing rule in kspace_style ewald/disp
 

src/KSPACE/msm.h

@@ -156,6 +156,10 @@ E: Cannot (yet) use MSM with 2d simulation
 
 This feature is not yet supported.
 
+E: MSM can only currently be used with comm_style brick
+
+This is a current restriction in LAMMPS.
+
 E: Kspace style requires atom attribute q
 
 The atom style defined does not have these attributes.
@@ -175,17 +179,12 @@ Single precision cannot be used with MSM.
 
 E: KSpace style is incompatible with Pair style
 
-Setting a kspace style requires that a pair style with a long-range
+Setting a kspace style requires that a pair style with matching
-Coulombic or dispersion component be used.
+long-range Coulombic or dispersion components be used.
 
-E: Cannot use kspace solver on system with no charge
+E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial with kspace_style MSM
 
-No atoms in system have a non-zero charge.
+Self-explanatory.
-
-E: System is not charge neutral, net charge = %g
-
-The total charge on all atoms on the system is not 0.0, which
-is not valid for the long-range Coulombic solvers.
 
 E: KSpace accuracy must be > 0
 
@@ -216,10 +215,9 @@ The global MSM grid is larger than OFFSET in one or more dimensions.
 OFFSET is currently set to 16384.  You likely need to decrease the
 requested accuracy.
 
-E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial
+E: Non-numeric box dimensions - simulation unstable
-with kspace_style MSM
 
-The kspace scalar pressure option cannot be used to obtain per-atom virial.
+The box size has apparently blown up.
 
 E: Out of range atoms - cannot compute MSM
 

src/KSPACE/msm_cg.h

@@ -60,6 +60,10 @@ E: Must use 'kspace_modify pressure/scalar no' with kspace_style msm/cg
 
 The kspace scalar pressure option is not compatible with kspace_style msm/cg.
 
+E: Non-numeric box dimensions - simulation unstable
+
+The box size has apparently blown up.
+
 E: Out of range atoms - cannot compute MSM
 
 One or more atoms are attempting to map their charge to a MSM grid point 

src/KSPACE/pair_born_coul_msm.h

@@ -44,30 +44,6 @@ class PairBornCoulMSM : public PairBornCoulLong {
 
 /* ERROR/WARNING messages:
 
-E: 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.
-
-E: Incorrect args for pair coefficients
-
-Self-explanatory.  Check the input script or data file.
-
-E: All pair coeffs are not set
-
-All pair coefficients must be set in the data file or by the
-pair_coeff command before running a simulation.
-
-E: Pair style born/coul/long requires atom attribute q
-
-An atom style that defines this attribute must be used.
-
-E: Pair style is incompatible with KSpace style
-
-If a pair style with a long-range Coulombic component is selected,
-then a kspace style must also be used.
-
 E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial with kspace_style MSM
 
 The kspace scalar pressure option cannot be used to obtain per-atom virial.

src/KSPACE/pair_buck_coul_msm.h

@@ -43,30 +43,6 @@ class PairBuckCoulMSM : public PairBuckCoulLong {
 
 /* ERROR/WARNING messages:
 
-E: 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.
-
-E: Incorrect args for pair coefficients
-
-Self-explanatory.  Check the input script or data file.
-
-E: All pair coeffs are not set
-
-All pair coefficients must be set in the data file or by the
-pair_coeff command before running a simulation.
-
-E: Pair style buck/coul/long requires atom attribute q
-
-The atom style defined does not have these attributes.
-
-E: Pair style is incompatible with KSpace style
-
-If a pair style with a long-range Coulombic component is selected,
-then a kspace style must also be used.
-
 E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial with kspace_style MSM
 
 The kspace scalar pressure option cannot be used to obtain per-atom virial.

src/KSPACE/pair_coul_msm.h

@@ -40,30 +40,6 @@ class PairCoulMSM : public PairCoulLong {
 
 /* ERROR/WARNING messages:
 
-E: 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.
-
-E: Incorrect args for pair coefficients
-
-Self-explanatory.  Check the input script or data file.
-
-E: Pair style lj/cut/coul/msm requires atom attribute q
-
-The atom style defined does not have this attribute.
-
-E: Pair cutoff < Respa interior cutoff
-
-One or more pairwise cutoffs are too short to use with the specified
-rRESPA cutoffs.
-
-E: Pair style is incompatible with KSpace style
-
-If a pair style with a long-range Coulombic component is selected,
-then a kspace style must also be used.
-
 E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial with kspace_style MSM
 
 The kspace scalar pressure option cannot be used to obtain per-atom virial.

src/KSPACE/pair_lj_charmm_coul_msm.h

@@ -44,26 +44,7 @@ class PairLJCharmmCoulMSM : public PairLJCharmmCoulLong {
 
 /* ERROR/WARNING messages:
 
-E: Illegal ... command
+E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial with kspace_style MSM
-
-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
-
-Self-explanatory.  Check the input script or data file.
-
-E: Pair style lj/charmm/coul/long requires atom attribute q
-
-The atom style defined does not have these attributes.
-
-E: Pair inner cutoff >= Pair outer cutoff
-
-The specified cutoffs for the pair style are inconsistent.
-
-E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial
-with kspace_style MSM
 
 The kspace scalar pressure option cannot be used to obtain per-atom virial.
 
@@ -71,19 +52,4 @@ E: Must use 'kspace_modify pressure/scalar no' for rRESPA with kspace_style MSM
 
 The kspace scalar pressure option cannot (yet) be used with rRESPA.
 
-E: Pair cutoff < Respa interior cutoff
-
-One or more pairwise cutoffs are too short to use with the specified
-rRESPA cutoffs.
-
-E: Pair inner cutoff < Respa interior cutoff
-
-One or more pairwise cutoffs are too short to use with the specified
-rRESPA cutoffs.
-
-E: Pair style is incompatible with KSpace style
-
-If a pair style with a long-range Coulombic component is selected,
-then a kspace style must also be used.
-
 */

src/KSPACE/pair_lj_cut_coul_msm.h

@@ -44,25 +44,6 @@ class PairLJCutCoulMSM : public PairLJCutCoulLong {
 
 /* ERROR/WARNING messages:
 
-E: 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.
-
-E: Incorrect args for pair coefficients
-
-Self-explanatory.  Check the input script or data file.
-
-E: Pair style lj/cut/coul/msm requires atom attribute q
-
-The atom style defined does not have this attribute.
-
-E: Pair style is incompatible with KSpace style
-
-If a pair style with a long-range Coulombic component is selected,
-then a kspace style must also be used.
-
 E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial with kspace_style MSM
 
 The kspace scalar pressure option cannot be used to obtain per-atom virial.
@@ -71,9 +52,4 @@ E: Must use 'kspace_modify pressure/scalar no' for rRESPA with kspace_style MSM
 
 The kspace scalar pressure option cannot (yet) be used with rRESPA.
 
-E: Pair cutoff < Respa interior cutoff
-
-One or more pairwise cutoffs are too short to use with the specified
-rRESPA cutoffs.
-
 */

src/KSPACE/pppm.cpp

@@ -230,7 +230,7 @@ void PPPM::init()
     int *p_typeA = (int *) force->pair->extract("typeA",itmp);
     int *p_typeB = (int *) force->pair->extract("typeB",itmp);
     if (!p_qdist || !p_typeO || !p_typeH || !p_typeA || !p_typeB)
-      error->all(FLERR,"Pair style is incompatible with KSpace style");
+      error->all(FLERR,"Pair style is incompatible with TIP4P KSpace style");
     qdist = *p_qdist;
     typeO = *p_typeO;
     typeH = *p_typeH;

src/KSPACE/pppm.h

@@ -222,6 +222,10 @@ E: Cannot use PPPM with 2d simulation
 The kspace style pppm cannot be used in 2d simulations.  You can use
 2d PPPM in a 3d simulation; see the kspace_modify command.
 
+E: PPPM can only currently be used with comm_style brick
+
+This is a current restriction in LAMMPS.
+
 E: Kspace style requires atom attribute q
 
 The atom style defined does not have these attributes.
@@ -243,8 +247,12 @@ This is a limitation of the PPPM implementation in LAMMPS.
 
 E: KSpace style is incompatible with Pair style
 
-Setting a kspace style requires that a pair style with a long-range
+Setting a kspace style requires that a pair style with matching
-Coulombic or dispersion component be used.
+long-range Coulombic or dispersion components be used.
+
+E: Pair style is incompatible with TIP4P KSpace style
+
+The pair style does not have the requires TIP4P settings.
 
 E: Bond and angle potentials must be defined for TIP4P
 
@@ -263,15 +271,6 @@ E: Cannot (yet) use PPPM with triclinic box and TIP4P
 
 This feature is not yet supported.
 
-E: Cannot use kspace solver on system with no charge
-
-No atoms in system have a non-zero charge.
-
-W: System is not charge neutral, net charge = %g
-
-The total charge on all atoms on the system is not 0.0, which
-is not valid for the long-range Coulombic solvers.
-
 W: Reducing PPPM order b/c stencil extends beyond nearest neighbor processor
 
 This may lead to a larger grid than desired.  See the kspace_modify overlap
@@ -308,6 +307,10 @@ The Newton-Raphson solver failed to converge to a good value for
 g_ewald.  This error should not occur for typical problems.  Please
 send an email to the developers.
 
+E: Non-numeric box dimensions - simulation unstable
+
+The box size has apparently blown up.
+
 E: Out of range atoms - cannot compute PPPM
 
 One or more atoms are attempting to map their charge to a PPPM grid

src/KSPACE/pppm_cg.h

@@ -58,6 +58,10 @@ 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: Non-numeric box dimensions - simulation unstable
+
+The box size has apparently blown up.
+
 E: Out of range atoms - cannot compute PPPM
 
 One or more atoms are attempting to map their charge to a PPPM grid

src/KSPACE/pppm_disp.h

@@ -385,6 +385,10 @@ E: Cannot use PPPMDisp with 2d simulation
 The kspace style pppm/disp cannot be used in 2d simulations.  You can
 use 2d pppm/disp in a 3d simulation; see the kspace_modify command.
 
+E: PPPMDisp can only currently be used with comm_style brick
+
+This is a current restriction in LAMMPS.
+
 E: Cannot use nonperiodic boundaries with PPPMDisp
 
 For kspace style pppm/disp, all 3 dimensions must have periodic
@@ -402,8 +406,8 @@ This is a limitation of the PPPM implementation in LAMMPS.
 
 E: KSpace style is incompatible with Pair style
 
-Setting a kspace style requires that a pair style with a long-range
+Setting a kspace style requires that a pair style with matching
-Coulombic or dispersion component be used.
+long-range Coulombic or dispersion components be used.
 
 E: Unsupported order in kspace_style pppm/disp, pair_style %s
 
@@ -413,20 +417,9 @@ W: Charges are set, but coulombic solver is not used
 
 Self-explanatory.
 
-E: Kspace style with selected options requires atom attribute q
+E: PPPMDisp used but no parameters set, for further information please see the pppm/disp documentation
 
-The atom style defined does not have these attributes.
+An efficient and accurate usage of the pppm/disp requires settings via the kspace_modify command. Please see the pppm/disp documentation for further instructions.
-Change the atom style or switch of the coulomb solver.
-
-E: Cannot use kspace solver with selected options on system with no charge
-
-No atoms in system have a non-zero charge. Change charges or change 
-options of the kspace solver/pair style.
-
-W: System is not charge neutral, net charge = %g
-
-The total charge on all atoms on the system is not 0.0, which
-is not valid for the long-range Coulombic solvers.
 
 E: Bond and angle potentials must be defined for TIP4P
 
@@ -481,7 +474,7 @@ E: Matrix factorization to split dispersion coefficients failed
 
 This should not normally happen.  Contact the developers.
 
-W: Error in splitting of dispersion coeffs is estimated %g%
+W: Estimated error in splitting of dispersion coeffs is %g
 
 Error is greater than 0.0001 percent.
 
@@ -493,10 +486,6 @@ E: Epsilon or sigma reference not set by pair style in PPPMDisp
 
 Self-explanatory.
 
-E: PPPMDisp used but no parameters set, for further information please see the pppm/disp documentation
-
-An efficient and accurate usage of the pppm/disp requires settings via the kspace_modify command. Please see the pppm/disp documentation for further instructions.
-
 E: KSpace accuracy too large to estimate G vector
 
 Reduce the accuracy request or specify gwald explicitly
@@ -532,6 +521,10 @@ The code is unable to compute a grid size consistent with the desired
 accuracy.  This error should not occur for typical problems.  Please
 send an email to the developers.
 
+E: Non-numeric box dimensions - simulation unstable
+
+The box size has apparently blown up.
+
 E: Out of range atoms - cannot compute PPPMDisp
 
 One or more atoms are attempting to map their charge to a PPPM grid

src/KSPACE/pppm_disp_tip4p.h

@@ -54,6 +54,10 @@ E: Kspace style pppm/disp/tip4p requires newton on
 
 Self-explanatory.
 
+E: Non-numeric box dimensions - simulation unstable
+
+The box size has apparently blown up.
+
 E: Out of range atoms - cannot compute PPPM
 
 One or more atoms are attempting to map their charge to a PPPM grid

src/KSPACE/pppm_stagger.h

@@ -92,6 +92,10 @@ E: Cannot (yet) use kspace_style pppm/stagger with triclinic systems
 
 This feature is not yet supported.
 
+E: Non-numeric box dimensions - simulation unstable
+
+The box size has apparently blown up.
+
 E: Out of range atoms - cannot compute PPPM
 
 One or more atoms are attempting to map their charge to a PPPM grid

src/KSPACE/pppm_tip4p.h

@@ -52,6 +52,10 @@ E: Kspace style pppm/tip4p requires newton on
 
 Self-explanatory.
 
+E: Non-numeric box dimensions - simulation unstable
+
+The box size has apparently blown up.
+
 E: Out of range atoms - cannot compute PPPM
 
 One or more atoms are attempting to map their charge to a PPPM grid

src/MANYBODY/pair_comb3.cpp

@@ -205,7 +205,7 @@ void PairComb3::coeff(int narg, char **arg)
   for (i = 3; i < narg; i++) {
     if ((strcmp(arg[i],"C") == 0) && (cflag == 0)) {
       if( comm->me == 0) fprintf(screen,
-      "	PairComb3: Found C: reading additional library file \n");
+      "	PairComb3: Found C: reading additional library file\n");
     read_lib();
     cflag = 1;
     }
@@ -316,11 +316,11 @@ void PairComb3::read_lib()
 
   // open libraray file on proc 0
 
-  if(comm->me == 0) {
+  if (comm->me == 0) {
     FILE *fp = force->open_potential("lib.comb3");
     if (fp == NULL) {
       char str[128];
-      sprintf(str,"Cannot open COMB3 C library file \n");
+      sprintf(str,"Cannot open COMB3 lib.comb3 file");
       error->one(FLERR,str);
     }
 
@@ -2572,9 +2572,9 @@ void PairComb3::tables()
                
         rvdw[1][inty] = params[iparam_ij].vsig * 0.950;
 
-        // radius check: outter radius vs. sigma
+        // radius check: outer radius vs. sigma
         if( rvdw[0][inty] > rvdw[1][inty] )
-          error->all(FLERR,"Error in vdw spline: inner radius > outter radius");
+          error->all(FLERR,"Error in vdw spline: inner radius > outer radius");
 
         rrc[0] = rvdw[1][inty];
 

src/MANYBODY/pair_comb3.h

@@ -280,16 +280,16 @@ E: Incorrect args for pair coefficients
 
 Self-explanatory.  Check the input script or data file.
 
-E: Pair style COMB requires atom IDs
+E: Pair style COMB3 requires atom IDs
 
-This is a requirement to use the AIREBO potential.
+This is a requirement to use the COMB3 potential.
 
-E: Pair style COMB requires newton pair on
+E: Pair style COMB3 requires newton pair on
 
-See the newton command.  This is a restriction to use the COMB
+See the newton command.  This is a restriction to use the COMB3
 potential.
 
-E: Pair style COMB requires atom attribute q
+E: Pair style COMB3 requires atom attribute q
 
 Self-explanatory.
 
@@ -298,36 +298,42 @@ E: All pair coeffs are not set
 All pair coefficients must be set in the data file or by the
 pair_coeff command before running a simulation.
 
-E: Cannot open COMB potential file %s
+E: Cannot open COMB3 lib.comb3 file
 
-The specified COMB potential file cannot be opened.  Check that the
+The COMB3 library file cannot be opened.  Check that the path and name
+are correct.
+
+E: Cannot open COMB3 potential file %s
+
+The specified COMB3 potential file cannot be opened.  Check that the
 path and name are correct.
 
-E: Incorrect format in COMB potential file
+E: Incorrect format in COMB3 potential file
 
 Incorrect number of words per line in the potential file.
 
-E: Illegal COMB parameter
+E: Illegal COMB3 parameter
 
 One or more of the coefficients defined in the potential file is
 invalid.
 
 E: Potential file has duplicate entry
 
-The potential file for a SW or Tersoff potential has more than
+The potential file has more than one entry for the same element.
-one entry for the same 3 ordered elements.
 
 E: Potential file is missing an entry
 
-The potential file for a SW or Tersoff potential does not have a
+The potential file does not have a needed entry.
-needed entry.
 
-W: Pair COMB charge %.10f with force %.10f hit min barrier
+E: Neighbor list overflow, boost neigh_modify one
 
-Something is possibly wrong with your model.
+There are too many neighbors of a single atom.  Use the neigh_modify
+command to increase the max number of neighbors allowed for one atom.
+You may also want to boost the page size.
 
-W: Pair COMB charge %.10f with force %.10f hit max barrier
+E: Error in vdw spline: inner radius > outer radius
 
-Something is possibly wrong with your model.
+A pre-tabulated spline is invalid.  Likely a problem with the
+potential parameters.
 
 */

src/MISC/fix_deposit.h

@@ -171,9 +171,4 @@ E: Molecule template ID for fix deposit does not exist
 
 Self-explanatory.
 
-W: Molecule template for fix deposit has multiple molecules
-
-The fix deposit command will only create molecules of a single type,
-i.e. the first molecule in the template.
-
 */

src/MISC/fix_oneway.cpp

@@ -22,6 +22,7 @@
 #include "error.h"
 #include "force.h"
 #include "region.h"
+#include "error.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -39,7 +40,7 @@ FixOneWay::FixOneWay(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
   if (narg < 6) error->all(FLERR,"Illegal fix oneway command");
 
   nevery = force->inumeric(FLERR,arg[3]);
-  if (nevery < 1) error->all(FLERR,"Illegal nevery value for fix oneway");
+  if (nevery < 1) error->all(FLERR,"Illegal fix oneway command");
 
   int len = strlen(arg[4]);
   regionstr = new char[len];
@@ -81,7 +82,7 @@ void FixOneWay::init()
 {
   regionidx = domain->find_region(regionstr);
   if (regionidx < 0)
-    error->warning(FLERR,"Region for fix oneway does not exist");
+    error->all(FLERR,"Region for fix oneway does not exist");
 }
 
 /* ---------------------------------------------------------------------- */

src/MISC/fix_oneway.h

@@ -51,4 +51,8 @@ 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: Region for fix oneway does not exist
+
+Self-explanatory.
+
 */

src/MPIIO/dump_atom_mpiio.h

@@ -76,7 +76,7 @@ class DumpAtomMPIIO : public DumpAtom {
 
 /* ERROR/WARNING messages:
 
-E: Cannot open dump file
+E: Cannot open dump file %s
 
 The output file for the dump command cannot be opened.  Check that the
 path and name are correct.

src/MPIIO/dump_cfg_mpiio.h

@@ -60,18 +60,15 @@ class DumpCFGMPIIO : public DumpCFG {
 
 /* ERROR/WARNING messages:
 
-E: Dump cfg arguments must start with 'mass type xs ys zs' or 'mass type xsu ysu zsu'
+E: Cannot open dump file %s
 
-This is a requirement of the CFG output format.  See the dump cfg doc
+The output file for the dump command cannot be opened.  Check that the
-page for more details.
+path and name are correct.
 
-E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu
+E: Too much per-proc info for dump
 
-Self-explanatory.
+The size of the buffered string must fit in a 32-bit integer for a
-
+dump.
-E: Invalid keyword in dump cfg command
-
-Self-explanatory.
 
 E: Dump cfg requires one snapshot per file
 

src/MPIIO/dump_custom_mpiio.h

@@ -69,7 +69,7 @@ class DumpCustomMPIIO : public DumpCustom {
 
 /* ERROR/WARNING messages:
 
-E: Cannot open dump file
+E: Cannot open dump file %s
 
 The output file for the dump command cannot be opened.  Check that the
 path and name are correct.

src/MPIIO/dump_xyz_mpiio.h

@@ -63,7 +63,7 @@ class DumpXYZMPIIO : public DumpXYZ {
 
 /* ERROR/WARNING messages:
 
-E: Cannot open dump file
+E: Cannot open dump file %s
 
 The output file for the dump command cannot be opened.  Check that the
 path and name are correct.

src/PERI/compute_dilatation_atom.h

@@ -46,3 +46,25 @@ class ComputeDilatationAtom : public Compute {
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: 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.
+
+W: More than one compute dilatation/atom
+
+Self-explanatory.
+
+E: Compute dilatation/atom cannot be used with this pair style
+
+Self-explanatory.
+
+E: Compute dilatation/atom requires Peridynamic pair style
+
+Self-explanatory.
+
+*/

src/PERI/compute_plasticity_atom.h

@@ -42,3 +42,25 @@ class ComputePlasticityAtom : public Compute {
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: 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.
+
+E: Compute plasticity/atom cannot be used with this pair style
+
+Self-explanatory.
+
+W: More than one compute plasticity/atom
+
+Self-explanatory.
+
+E: Compute plasticity/atom requires Peridynamic pair style
+
+Self-explanatory.
+
+*/

src/PERI/pair_peri_eps.h

@@ -104,7 +104,7 @@ E: Fix peri neigh does not exist
 
 Somehow a fix that the pair style defines has been deleted.
 
-E: Divide by 0 in influence function of pair peri/lps
+E: Divide by 0 in influence function
 
 This should not normally occur.  It is likely a problem with your
 model.

src/PYTHON/python.cpp

@@ -154,13 +154,12 @@ void Python::command(int narg, char **arg)
     //PySys_SetArgv(1,&arg);
 
     //PyObject *pName = PyString_FromString("__main__");
-    //if (!pName) error->all(FLERR,"Bad pName");
+    //if (!pName) error->Xall(FLERR,"Bad pName");
     //PyObject *pModule = PyImport_Import(pName);
     //Py_DECREF(pName);
 
     PyObject *pModule = PyImport_AddModule("__main__");
     if (!pModule) error->all(FLERR,"Could not initialize embedded Python");
-    //if (!pModule) error->one(FLERR,"Could not initialize embedded Python");
     pyMain = (void *) pModule;
   }
 

src/PYTHON/python.h

@@ -57,3 +57,71 @@ class Python : protected Pointers {
 }
 
 #endif
+
+/* ERROR/WARNING messages:
+
+E: Invalid python 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.
+
+E: Python invoke of undefined function
+
+Cannot invoke a function that has not been previously defined.
+
+E: Python variable does not match Python function
+
+Trying to invoke a function that returns a value, but no
+matching python-style variable has been specified.
+
+E: Cannot embed Python when also extending Python with LAMMPS
+
+When running LAMMPS via Python through the LAMMPS library interface
+you cannot also user the input script python command.
+
+E: Could not initialize embedded Python
+
+The main module in Python was not accessible.
+
+E: Could not open Python file
+
+The specified file of Python code cannot be opened.  Check that the
+path and name are correct.
+
+E: Could not process Python file
+
+The Python code in the specified file was not run sucessfully by
+Python, probably due to errors in the Python code.
+
+E: Could not process Python string
+
+The Python code in the here string was not run sucessfully by Python,
+probably due to errors in the Python code.
+
+E: Could not find Python function
+
+The provided Python code was run successfully, but it not
+define a callable function with the required name.
+
+E: Python function is not callable
+
+The provided Python code was run successfully, but it not
+define a callable function with the required name.
+
+E: Could not create Python function arguments
+
+This is an internal Python error, possibly because the number
+of inputs to the function is too large.
+
+E: Could not evaluate Python function input variable
+
+Self-explanatory.
+
+E: Python function evaluation failed
+
+The Python function did not run succesfully and/or did not return a
+value (if it is supposed to return a value).  This is probably due to
+some error condition in the function.
+
+*/

src/QEQ/fix_qeq.h

@@ -127,3 +127,30 @@ class FixQEq : public Fix {
 }
 
 #endif
+
+/* ERROR/WARNING messages:
+
+E: 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.
+
+E: QEQ with 'newton pair off' not supported
+
+See the newton command.  This is a restriction to use the QEQ fixes.
+
+W: Fix qeq CG convergence failed (%g) after %d iterations at %ld step
+
+Self-explanatory.
+
+E: Cannot open fix qeq parameter file %s
+
+The specified file cannot be opened.  Check that the path and name are
+correct.
+
+E: Invalid fix qeq parameter file
+
+Element index > number of atom types.
+
+*/

src/QEQ/fix_qeq_dynamic.h

@@ -44,3 +44,29 @@ class FixQEqDynamic : public FixQEq {
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: 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.
+
+E: Fix qeq/dynamic requires atom attribute q
+
+Self-explanatory.
+
+E: Fix qeq/dynamic group has no atoms
+
+Self-explanatory.
+
+W: Fix qeq/dynamic tolerance may be too small for damped dynamics
+
+Self-explanatory.
+
+W: Charges did not converge at step %ld: %lg
+
+Self-explanatory.
+
+*/

src/QEQ/fix_qeq_point.h

@@ -39,3 +39,23 @@ class FixQEqPoint : public FixQEq {
 }
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: Fix qeq/point requires atom attribute q
+
+Self-explanatory.
+
+E: Fix qeq/point group has no atoms
+
+Self-explanatory.
+
+W: H matrix size has been exceeded: m_fill=%d H.m=%d\n
+
+This is the size of the matrix.
+
+E: Fix qeq/point has insufficient QEq matrix size
+
+UNDOCUMENTED
+
+*/

src/QEQ/fix_qeq_shielded.cpp

@@ -58,7 +58,7 @@ void FixQEqShielded::init()
   neighbor->requests[irequest]->full = 1;
 
   int ntypes = atom->ntypes;
-  memory->create(shld,ntypes+1,ntypes+1,"qeq:shileding");
+  memory->create(shld,ntypes+1,ntypes+1,"qeq:shielding");
 
   init_shielding();
 
@@ -234,5 +234,4 @@ double FixQEqShielded::calculate_H( double r, double gamma )
   denom = pow(denom,0.3333333333333);
 
   return Taper * EV_TO_KCAL_PER_MOL / denom;
-
 }

src/QEQ/fix_qeq_shielded.h

@@ -41,3 +41,39 @@ class FixQEqShielded : public FixQEq {
 }
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: Fix qeq/shielded requires atom attribute q
+
+Self-explanatory.
+
+E: Fix qeq/shielded group has no atoms
+
+Self-explanatory.
+
+E: Invalid param file for fix qeq/shielded
+
+Invalid value of gamma.
+
+W: Fix qeq has non-zero lower Taper radius cutoff
+
+Absolute value must be <= 0.01.
+
+E: Fix qeq has negative upper Taper radius cutoff
+
+Self-explanatory.
+
+W: Fix qeq has very low Taper radius cutoff
+
+Value should typically be >= 5.0.
+
+W: H matrix size has been exceeded: m_fill=%d H.m=%d\n
+
+This is the size of the matrix.
+
+E: Fix qeq/shielded has insufficient QEq matrix size
+
+UNDOCUMENTED
+
+*/

src/QEQ/fix_qeq_slater.h

@@ -44,3 +44,41 @@ class FixQEqSlater : public FixQEq {
 }
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: 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.
+
+E: Fix qeq/slater requires atom attribute q
+
+Self-explanatory.
+
+E: Fix qeq/slater group has no atoms
+
+Self-explanatory.
+
+E: Invalid param file for fix qeq/slater
+
+Zeta value is 0.0.
+
+E: No pair coul/streitz for fix qeq/slater
+
+These commands must be used together.
+
+E: Fix qeq/slater could not extract params from pair coul/streitz
+
+This should not happen unless pair coul/streitz has been altered.
+
+W: H matrix size has been exceeded: m_fill=%d H.m=%d\n
+
+This is the size of the matrix.
+
+E: Fix qeq/slater has insufficient QEq matrix size
+
+UNDOCUMENTED
+
+*/

src/REAX/pair_reax.h

@@ -129,6 +129,10 @@ E: Pair style reax requires newton pair on
 
 This is a requirement to use the ReaxFF potential.
 
+E: Pair style reax requires atom attribute q
+
+The atom style defined does not have this attribute.
+
 W: Not using real units with pair reax
 
 This is most likely an error, unless you have created your own ReaxFF

src/REPLICA/verlet_split.h

@@ -66,6 +66,10 @@ E: Verlet/split requires Rspace partition size be multiple of Kspace partition s
 This is so there is an equal number of Rspace processors for every
 Kspace processor.
 
+E: Verlet/split can only currently be used with comm_style brick
+
+This is a current restriction in LAMMPS.
+
 E: Verlet/split requires Rspace partition layout be multiple of Kspace partition layout in each dim
 
 This is controlled by the processors command.

src/RIGID/fix_rattle.cpp

@@ -703,7 +703,7 @@ void FixRattle::end_of_step()
     comm->forward_comm_fix(this);
   }
   if (!check_constraints(v, RATTLE_TEST_POS, RATTLE_TEST_VEL)) {
-    error->one(FLERR, "RATTLE failed!");
+    error->one(FLERR, "RATTLE failed");
   }
 }
 
@@ -743,12 +743,12 @@ bool FixRattle::check2(double **v, int m, bool checkr, bool checkv)
 
   stat = !(checkr && (fabs(sqrt(MathExtra::dot3(r01,r01)) - bond1) > tol));
   if (!stat)   
-     error->one(FLERR,"Coordinate constraints are not satisfied "
+     error->one(FLERR,"RATTLE coordinate constraints are not satisfied "
                 "up to desired tolerance");
 
   stat = !(checkv && (fabs(MathExtra::dot3(r01,v01)) > tol));
   if (!stat)   
-     error->one(FLERR,"Velocity constraints are not satisfied "
+     error->one(FLERR,"RATTLE velocity constraints are not satisfied "
                 "up to desired tolerance");
   return stat;
 }
@@ -780,13 +780,13 @@ bool FixRattle::check3(double **v, int m, bool checkr, bool checkv)
   stat = !(checkr && (fabs(sqrt(MathExtra::dot3(r01,r01)) - bond1) > tol ||
                       fabs(sqrt(MathExtra::dot3(r02,r02))-bond2) > tol));
   if (!stat)   
-     error->one(FLERR,"Coordinate constraints are not satisfied "
+     error->one(FLERR,"RATTLE coordinate constraints are not satisfied "
                 "up to desired tolerance");
 
   stat = !(checkv && (fabs(MathExtra::dot3(r01,v01)) > tol || 
                       fabs(MathExtra::dot3(r02,v02)) > tol));
   if (!stat)   
-     error->one(FLERR,"Velocity constraints are not satisfied "
+     error->one(FLERR,"RATTLE velocity constraints are not satisfied "
                 "up to desired tolerance!");
   return stat;
 }
@@ -823,14 +823,14 @@ bool FixRattle::check4(double **v, int m, bool checkr, bool checkv)
                       fabs(sqrt(MathExtra::dot3(r02,r02))-bond2) > tol || 
                       fabs(sqrt(MathExtra::dot3(r03,r03))-bond3) > tol));
   if (!stat)   
-     error->one(FLERR,"Coordinate constraints are not satisfied "
+     error->one(FLERR,"RATTLE coordinate constraints are not satisfied "
-                "up to desired tolerance!");
+                "up to desired tolerance");
 
   stat = !(checkv && (fabs(MathExtra::dot3(r01,v01)) > tol || 
                       fabs(MathExtra::dot3(r02,v02)) > tol || 
                       fabs(MathExtra::dot3(r03,v03)) > tol));
   if (!stat)   
-     error->one(FLERR,"Velocity constraints are not satisfied "
+     error->one(FLERR,"RATTLE velocity constraints are not satisfied "
                 "up to desired tolerance!");
   return stat;
 }
@@ -866,14 +866,14 @@ bool FixRattle::check3angle(double **v, int m, bool checkr, bool checkv)
                       fabs(sqrt(MathExtra::dot3(r02,r02))-bond2) > tol || 
                       fabs(sqrt(MathExtra::dot3(r12,r12))-bond12) > tol));
   if (!stat)   
-     error->one(FLERR,"Coordinate constraints are not satisfied "
+     error->one(FLERR,"RATTLE coordinate constraints are not satisfied "
-                "up to desired tolerance!");
+                "up to desired tolerance");
 
   stat = !(checkv && (fabs(MathExtra::dot3(r01,v01)) > tol || 
                       fabs(MathExtra::dot3(r02,v02)) > tol || 
                       fabs(MathExtra::dot3(r12,v12)) > tol));
   if (!stat)   
-     error->one(FLERR,"Velocity constraints are not satisfied "
+     error->one(FLERR,"RATTLE velocity constraints are not satisfied "
-                "up to desired tolerance!");
+                "up to desired tolerance");
   return stat;
 }

src/RIGID/fix_rattle.h

@@ -72,3 +72,31 @@ class FixRattle : public FixShake {
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+W: Fix rattle should come after all other integration fixes
+
+This fix is designed to work after all other integration fixes change
+atom positions.  Thus it should be the last integration fix specified.
+If not, it will not satisfy the desired constraints as well as it
+otherwise would.
+
+E: RATTLE determinant = 0.0
+
+The determinant of the matrix being solved for a single cluster
+specified by the fix rattle command is numerically invalid.
+
+E: RATTLE failed
+
+Certain constraints were not satisfied.
+
+E: RATTLE coordinate constraints are not satisfied up to desired tolerance
+
+Self-explanatory.
+
+E: RATTLE velocity constraints are not satisfied up to desired tolerance
+
+Self-explanatory.
+
+*/

src/RIGID/fix_rigid.h

@@ -209,7 +209,7 @@ NPT/NPH fix must be defined in input script after all rigid fixes,
 else the rigid fix contribution to the pressure virial is
 incorrect.
 
-W: Cannot count rigid body degrees-of-freedom before bodies are fully initialized
+W: Cannot count rigid body degrees-of-freedom before bodies are initialized
 
 This means the temperature associated with the rigid bodies may be
 incorrect on this timestep.

src/RIGID/fix_rigid_nh.cpp

@@ -88,23 +88,23 @@ FixRigidNH::FixRigidNH(LAMMPS *lmp, int narg, char **arg) :
       (p_start[0] != p_start[1] || p_start[0] != p_start[2] ||
        p_stop[0] != p_stop[1] || p_stop[0] != p_stop[2] ||
        p_period[0] != p_period[1] || p_period[0] != p_period[2]))
-    error->all(FLERR,"Invalid fix rigid npt/nph pressure settings");
+    error->all(FLERR,"Invalid fix rigid npt/nph command pressure settings");
   if (pcouple == XYZ && dimension == 2 &&
       (p_start[0] != p_start[1] || p_stop[0] != p_stop[1] ||
        p_period[0] != p_period[1]))
-    error->all(FLERR,"Invalid fix rigid npt/nph pressure settings");
+    error->all(FLERR,"Invalid fix rigid npt/nph command pressure settings");
   if (pcouple == XY &&
       (p_start[0] != p_start[1] || p_stop[0] != p_stop[1] ||
        p_period[0] != p_period[1]))
-    error->all(FLERR,"Invalid fix rigid npt/nph pressure settings");
+    error->all(FLERR,"Invalid fix rigid npt/nph command pressure settings");
   if (pcouple == YZ &&
       (p_start[1] != p_start[2] || p_stop[1] != p_stop[2] ||
        p_period[1] != p_period[2]))
-    error->all(FLERR,"Invalid fix rigid npt/nph pressure settings");
+    error->all(FLERR,"Invalid fix rigid npt/nph command pressure settings");
   if (pcouple == XZ &&
       (p_start[0] != p_start[2] || p_stop[0] != p_stop[2] ||
        p_period[0] != p_period[2]))
-    error->all(FLERR,"Invalid fix rigid npt/nph pressure settings");
+    error->all(FLERR,"Invalid fix rigid npt/nph command pressure settings");
 
   if ((tstat_flag && t_period <= 0.0) ||
       (p_flag[0] && p_period[0] <= 0.0) ||

src/RIGID/fix_rigid_nh.h

@@ -121,10 +121,6 @@ E: Cannot use fix rigid npt/nph on a non-periodic dimension
 When specifying a diagonal pressure component, the dimension must be
 periodic.
 
-E: Invalid fix rigid npt/nph pressure settings
-
-Settings for coupled dimensions must be the same.
-
 E: Fix rigid nvt/npt/nph damping parameters must be > 0.0
 
 Self-explanatory.

src/RIGID/fix_rigid_nh_small.cpp

@@ -101,23 +101,23 @@ FixRigidNHSmall::FixRigidNHSmall(LAMMPS *lmp, int narg, char **arg) :
       (p_start[0] != p_start[1] || p_start[0] != p_start[2] ||
        p_stop[0] != p_stop[1] || p_stop[0] != p_stop[2] ||
        p_period[0] != p_period[1] || p_period[0] != p_period[2]))
-    error->all(FLERR,"Invalid fix rigid/small npt/nph pressure settings");
+    error->all(FLERR,"Invalid fix rigid/small npt/nph command pressure settings");
   if (pcouple == XYZ && domain->dimension == 2 &&
       (p_start[0] != p_start[1] || p_stop[0] != p_stop[1] ||
        p_period[0] != p_period[1]))
-    error->all(FLERR,"Invalid fix rigid/small npt/nph pressure settings");
+    error->all(FLERR,"Invalid fix rigid/small npt/nph command pressure settings");
   if (pcouple == XY &&
       (p_start[0] != p_start[1] || p_stop[0] != p_stop[1] ||
        p_period[0] != p_period[1]))
-    error->all(FLERR,"Invalid fix rigid/small npt/nph pressure settings");
+    error->all(FLERR,"Invalid fix rigid/small npt/nph command pressure settings");
   if (pcouple == YZ &&
       (p_start[1] != p_start[2] || p_stop[1] != p_stop[2] ||
        p_period[1] != p_period[2]))
-    error->all(FLERR,"Invalid fix rigid/small npt/nph pressure settings");
+    error->all(FLERR,"Invalid fix rigid/small npt/nph command pressure settings");
   if (pcouple == XZ &&
       (p_start[0] != p_start[2] || p_stop[0] != p_stop[2] ||
        p_period[0] != p_period[2]))
-    error->all(FLERR,"Invalid fix rigid/small npt/nph pressure settings");
+    error->all(FLERR,"Invalid fix rigid/small npt/nph command pressure settings");
 
   if ((tstat_flag && t_period <= 0.0) ||
       (p_flag[0] && p_period[0] <= 0.0) ||

src/RIGID/fix_rigid_nh_small.h

@@ -102,29 +102,25 @@ inline double FixRigidNHSmall::maclaurin_series(double x)
 
 /* ERROR/WARNING messages:
 
-E: Fix rigid npt/nph period must be > 0.0
+E: Fix rigid/small npt/nph period must be > 0.0
 
 Self-explanatory.
 
-E: Invalid fix rigid npt/nph command for a 2d simulation
+E: Invalid fix rigid/small npt/nph command for a 2d simulation
 
 Cannot control z dimension in a 2d model.
 
-E: Invalid fix rigid npt/nph command pressure settings
+E: Invalid fix rigid/small npt/nph command pressure settings
 
 If multiple dimensions are coupled, those dimensions must be
 specified.
 
-E: Cannot use fix rigid npt/nph on a non-periodic dimension
+E: Cannot use fix rigid/small npt/nph on a non-periodic dimension
 
 When specifying a diagonal pressure component, the dimension must be
 periodic.
 
-E: Invalid fix rigid npt/nph pressure settings
+E: Fix rigid/small nvt/npt/nph damping parameters must be > 0.0
-
-Settings for coupled dimensions must be the same.
-
-E: Fix rigid nvt/npt/nph damping parameters must be > 0.0
 
 Self-explanatory.
 
@@ -132,21 +128,21 @@ E: Fix rigid npt/nph dilate group ID does not exist
 
 Self-explanatory.
 
-E: Temp ID for fix rigid npt/nph does not exist
+E: Temperature ID for fix rigid nvt/npt/nph does not exist
-
-Specified compute temperature must be valid.
-
-E: fix rigid npt/nph does not yet allow triclinic box
 
 Self-explanatory.
 
+E: Fix rigid npt/nph does not yet allow triclinic box
+
+This is a current restriction in LAMMPS.
+
 E: Cannot use fix rigid npt/nph and fix deform on same component of stress tensor
 
 This would be changing the same box dimension twice.
 
-E: Press ID for fix rigid npt/nph does not exist
+E: Pressure ID for fix rigid npt/nph does not exist
 
-Specified compute pressure must be valid.
+Self-explanatory.
 
 E: Illegal ... command
 
@@ -179,16 +175,4 @@ E: Fix_modify pressure ID does not compute pressure
 
 The compute ID assigned to the fix must compute pressure.
 
-U: Target temperature for fix rigid nvt/npt cannot be 0.0
-
-Self-explanatory.
-
-U: Temperature ID for fix rigid npt/nph does not exist
-
-Self-explanatory.
-
-U: Pressure ID for fix rigid npt/nph does not exist
-
-Self-explanatory.
-
 */

src/RIGID/fix_rigid_nph_small.cpp

@@ -40,14 +40,15 @@ FixRigidNPHSmall::FixRigidNPHSmall(LAMMPS *lmp, int narg, char **arg) :
   // error checks
 
   if (pstat_flag == 0)
-    error->all(FLERR,"Pressure control must be used with fix nph");
+    error->all(FLERR,"Pressure control must be used with fix nph/small");
   if (tstat_flag == 1)
-    error->all(FLERR,"Temperature control must not be used with fix nph");
+    error->all(FLERR,"Temperature control must not be used with fix nph/small");
   if (p_start[0] < 0.0 || p_start[1] < 0.0 || p_start[2] < 0.0 || 
       p_stop[0] < 0.0 || p_stop[1] < 0.0 || p_stop[2] < 0.0)
-    error->all(FLERR,"Target pressure for fix rigid/nph cannot be 0.0");
+    error->all(FLERR,"Target pressure for fix rigid/nph cannot be < 0.0");
   
   // convert input periods to frequency
+
   p_freq[0] = p_freq[1] = p_freq[2] = 0.0;
 
   if (p_flag[0]) p_freq[0] = 1.0 / p_period[0];

src/RIGID/fix_rigid_nph_small.h

@@ -38,16 +38,16 @@ class FixRigidNPHSmall : public FixRigidNHSmall {
 
 /* ERROR/WARNING messages:
 
-E: Pressure control must be used with fix rigid nph/small
+E: Pressure control must be used with fix nph/small
 
-UNDOCUMENTED
+Self-explanatory.
 
-E: Temperature control must not be used with fix rigid/nph/small
+E: Temperature control must not be used with fix nph/small
 
-UNDOCUMENTED
+Self-explanatory.
 
-E: Target pressure for fix rigid/nph/small cannot be 0.0
+E: Target pressure for fix rigid/nph cannot be < 0.0
 
-UNDOCUMENTED
+Self-explanatory.
 
 */

src/RIGID/fix_rigid_npt_small.cpp

@@ -45,16 +45,16 @@ FixRigidNPTSmall::FixRigidNPTSmall(LAMMPS *lmp, int narg, char **arg) :
     error->all(FLERR,"Target temperature for fix rigid/npt/small cannot be 0.0");
   if (p_start[0] < 0.0 || p_start[1] < 0.0 || p_start[2] < 0.0 || 
       p_stop[0] < 0.0 || p_stop[1] < 0.0 || p_stop[2] < 0.0)
-    error->all(FLERR,"Target pressure for fix rigid/npt/small cannot be 0.0");
+    error->all(FLERR,"Target pressure for fix rigid/npt/small cannot be < 0.0");
 
   if (t_period <= 0.0) error->all(FLERR,"Fix rigid/npt/small period must be > 0.0");
 
   // thermostat chain parameters
 
-  if (t_chain < 1) error->all(FLERR,"Illegal fix_modify command");
+  if (t_chain < 1) error->all(FLERR,"Fix rigid npt/small t_chain should not be less than 1");
-  if (t_iter < 1) error->all(FLERR,"Illegal fix_modify command");
+  if (t_iter < 1) error->all(FLERR,"Fix rigid npt/small t_chain should not be less than 1");
   if (t_order != 3 && t_order != 5) 
-    error->all(FLERR,"Fix_modify order must be 3 or 5");
+    error->all(FLERR,"Fix rigid npt/small t_order must be 3 or 5");
 
   // convert input periods to frequency
 

src/RIGID/fix_rigid_npt_small.h

@@ -40,26 +40,30 @@ class FixRigidNPTSmall : public FixRigidNHSmall {
 
 E: Did not set temp or press for fix rigid/npt/small
 
-UNDOCUMENTED
+Self-explanatory.
 
 E: Target temperature for fix rigid/npt/small cannot be 0.0
 
-UNDOCUMENTED
+Self-explanatory.
 
-E: Target pressure for fix rigid/npt/small cannot be 0.0
+E: Target pressure for fix rigid/npt/small cannot be < 0.0
 
-UNDOCUMENTED
+Self-explanatory.
 
 E: Fix rigid/npt/small period must be > 0.0
 
-UNDOCUMENTED
+Self-explanatory.
 
-E: Illegal ... command
+E: Fix rigid npt/small t_chain should not be less than 1
 
-UNDOCUMENTED
+Self-explanatory.
 
-E: Fix_modify order must be 3 or 5
+E: Fix rigid npt/small t_iter should not be less than 1
 
-UNDOCUMENTED
+Self-explanatory.
+
+E: Fix rigid npt/small t_order must be 3 or 5
+
+Self-explanatory.
 
 */

src/RIGID/fix_rigid_nvt_small.h

@@ -39,22 +39,26 @@ class FixRigidNVTSmall : public FixRigidNHSmall {
 
 E: Did not set temp for fix rigid/nvt/small
 
-UNDOCUMENTED
+Self-explanatory.
 
 E: Target temperature for fix rigid/nvt/small cannot be 0.0
 
-UNDOCUMENTED
+Self-explanatory.
 
 E: Fix rigid/nvt/small period must be > 0.0
 
-UNDOCUMENTED
+Self-explanatory.
 
-E: Illegal ... command
+E: Fix rigid nvt/small t_chain should not be less than 1
 
-UNDOCUMENTED
+Self-explanatory.
 
-E: Fix_modify order must be 3 or 5
+E: Fix rigid nvt/small t_iter should not be less than 1
 
-UNDOCUMENTED
+Self-explanatory.
+
+E: Fix rigid nvt/small t_order must be 3 or 5
+
+Self-explanatory.
 
 */

src/RIGID/fix_rigid_small.h

@@ -233,10 +233,9 @@ E: Molecule template ID for fix rigid/small does not exist
 
 Self-explanatory.
 
-W: Molecule template for fix rigid/small has multiple molecules
+E: Fix rigid/small nvt/npt/nph dilate group ID does not exist
 
-The fix rigid/small command will only recoginze molecules of a single
+Self-explanatory.
-type, i.e. the first molecule in the template.
 
 E: Fix rigid/small molecule must have coordinates
 
@@ -272,6 +271,11 @@ E: Fix rigid/small atom has non-zero image flag in a non-periodic dimension
 
 Image flags for non-periodic dimensions should not be set.
 
+E: Inconsistent use of finite-size particles by molecule template molecules
+
+Not all of the molecules define a radius for their constituent
+particles.
+
 E: Insufficient Jacobi rotations for rigid body
 
 Eigensolve for rigid body was not sufficiently accurate.
@@ -290,10 +294,6 @@ E: Unexpected end of fix rigid/small file
 
 A read operation from the file failed.
 
-E: Fix rigid file has no lines
-
-Self-explanatory.
-
 E: Incorrect rigid body format in fix rigid/small file
 
 The number of fields per line is not what expected.

src/SNAP/compute_sna_atom.h

@@ -51,3 +51,25 @@ class ComputeSNAAtom : public Compute {
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: 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.
+
+E: Compute sna/atom requires a pair style be defined
+
+Self-explanatory.
+
+E: Compute sna/atom cutoff is longer than pairwise cutoff
+
+Self-explanatory.
+
+W: More than one compute sna/atom
+
+Self-explanatory.
+
+*/

src/SNAP/compute_snad_atom.h

@@ -52,3 +52,25 @@ class ComputeSNADAtom : public Compute {
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: 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.
+
+E: Compute snad/atom requires a pair style be defined
+
+Self-explanatory.
+
+E: Compute snad/atom cutoff is longer than pairwise cutoff
+
+Self-explanatory.
+
+W: More than one compute snad/atom
+
+Self-explanatory.
+
+*/

src/SNAP/compute_snav_atom.h

@@ -53,3 +53,25 @@ class ComputeSNAVAtom : public Compute {
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: 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.
+
+E: Compute snav/atom requires a pair style be defined
+
+Self-explanatory.
+
+E: Compute snav/atom cutoff is longer than pairwise cutoff
+
+Self-explanatory.
+
+W: More than one compute snav/atom
+
+Self-explanatory.
+
+*/

src/SNAP/pair_snap.cpp

@@ -23,10 +23,11 @@
 #include "neigh_list.h"
 #include "neigh_request.h"
 #include "sna.h"
-#include "memory.h"
-#include "error.h"
 #include "openmp_snap.h"
 #include "domain.h"
+#include "memory.h"
+#include "error.h"
+
 #include <cmath>
 
 using namespace LAMMPS_NS;
@@ -749,15 +750,7 @@ void PairSNAP::load_balance()
 
   if (comm->cutghostuser <
       neighbor->cutneighmax+extra_cutoff())
-    error->all(FLERR,"Communication cutoff is too small "
+    error->all(FLERR,"Communication cutoff too small for SNAP micro load balancing");
-               "for SNAP micro load balancing.\n"
-               "Typically this can happen, if you change "
-               "the neighbor skin after your pair_style "
-               "command or if your box dimensions grow "
-               "during the run.\n"
-               "You need to set it via "
-               "'communicate single cutoff NUMBER' "
-               "to the needed length.");
 
   int nrecv = ghostinum;
   int totalsend = 0;
@@ -1239,12 +1232,11 @@ void PairSNAP::settings(int narg, char **arg)
   // optional arguments
 
   for (int i=0; i < narg; i++) {
-    if (i+2>narg) error->all(FLERR,"Illegal pair_style command."
+    if (i+2>narg) error->all(FLERR,"Illegal pair_style command");
-			     " Too few arguments.");
     if (strcmp(arg[i],"nthreads")==0) {
       nthreads=force->inumeric(FLERR,arg[++i]);
 #if defined(LMP_USER_OMP)
-      error->all(FLERR,"Please set number of threads via package omp command");
+      error->all(FLERR,"Must set number of threads via package omp command");
 #else
       omp_set_num_threads(nthreads);
       comm->nthreads=nthreads;
@@ -1271,8 +1263,8 @@ void PairSNAP::settings(int narg, char **arg)
 
 	  double tmp = mincutoff + 0.1;
 	  sprintf(buffer, "Communication cutoff is too small "
-		  "for SNAP micro load balancing. "
+		  "for SNAP micro load balancing, increased to %lf",
-		  "It will be increased to: %lf.",mincutoff+0.1);
+		  mincutoff+0.1);
 	  if (comm->me==0)
 	    error->warning(FLERR,buffer);
 
@@ -1295,14 +1287,10 @@ void PairSNAP::settings(int narg, char **arg)
       if (strcmp(arg[i],"determine")==0)
 	schedule_user = 5;
       if (schedule_user == 0)
-	error->all(FLERR,"Illegal pair_style command."
+	error->all(FLERR,"Illegal pair_style command");
-		   " Illegal schedule argument.");
       continue;
     }
-    char buffer[255];
+    error->all(FLERR,"Illegal pair_style command");
-    sprintf(buffer, "Illegal pair_style command."
-	    " Unrecognized argument: %s.\n",arg[i]);
-    error->all(FLERR,buffer);
   }
 
   if (nthreads < 0)
@@ -1322,8 +1310,7 @@ void PairSNAP::settings(int narg, char **arg)
 	use_shared_arrays || 
 	do_load_balance ||
 	schedule_user)
-      error->all(FLERR,"Illegal pair_style command."
+      error->all(FLERR,"Illegal pair_style command");
-                 "Advanced options require setting 'optimized 1'.");
 }
 
 /* ----------------------------------------------------------------------

src/SNAP/pair_snap.h

@@ -108,3 +108,64 @@ protected:
 
 #endif
 #endif
+
+/* ERROR/WARNING messages:
+
+E: Communication cutoff too small for SNAP micro load balancing
+
+This can happen if you change the neighbor skin after your pair_style
+command or if your box dimensions grow during a run. You can set the
+cutoff explicitly via the comm_modify cutoff command.
+
+E: 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.
+
+E: Must set number of threads via package omp command
+
+Because you are using the USER-OMP package, set the number of threads
+via its settings, not by the pair_style snap nthreads setting.
+
+W: Communication cutoff is too small for SNAP micro load balancing, increased to %lf
+
+Self-explanatory.
+
+E: Incorrect args for pair coefficients
+
+Self-explanatory.  Check the input script or data file.
+
+E: Incorrect SNAP parameter file
+
+The file cannot be parsed correctly, check its internal syntax.
+
+E: Pair style SNAP requires newton pair on
+
+See the newton command.  This is a restriction to use the SNAP
+potential.
+
+E: All pair coeffs are not set
+
+All pair coefficients must be set in the data file or by the
+pair_coeff command before running a simulation.
+
+E: Cannot open SNAP coefficient file %s
+
+The specified SNAP coefficient file cannot be opened.  Check that the
+path and name are correct.
+
+E: Incorrect format in SNAP coefficient file
+
+Incorrect number of words per line in the coefficient file.
+
+E: Cannot open SNAP parameter file %s
+
+The specified SNAP parameter file cannot be opened.  Check that the
+path and name are correct.
+
+E: Incorrect format in SNAP parameter file
+
+Incorrect number of words per line in the parameter file.
+
+*/

src/SNAP/sna.cpp

@@ -1727,7 +1727,7 @@ double SNA::factorial(int n)
     1.503616514865e+300,
   };
 
-  if(n < 0 || n > nmax) {
+  if (n < 0 || n > nmax) {
     char str[128];
     sprintf(str, "Invalid argument to factorial %d", n);
     error->all(FLERR, str);

src/SNAP/sna.h

@@ -141,3 +141,12 @@ private:
 }
 
 #endif
+
+/* ERROR/WARNING messages:
+
+E: Invalid argument to factorial %d
+
+N must be >= 0 and <= 167, otherwise the factorial result is too
+large.
+
+*/

src/SRD/fix_srd.cpp

@@ -1336,20 +1336,22 @@ void FixSRD::collisions_single()
             ninside++;
             if (insideflag == INSIDE_ERROR || insideflag == INSIDE_WARN) {
               char str[128];
-              if (type != WALL)
+              if (type != WALL) {
                 sprintf(str,
                         "SRD particle " TAGINT_FORMAT " started "
                         "inside big particle " TAGINT_FORMAT 
                         " on step " BIGINT_FORMAT " bounce %d",
                         atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
-              else
+		if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
+		error->warning(FLERR,str);
+	      } else{
                 sprintf(str,
                         "SRD particle " TAGINT_FORMAT " started "
-                        "inside big particle " TAGINT_FORMAT 
+                        "inside wall %d  on step " BIGINT_FORMAT " bounce %d",
-                        " on step " BIGINT_FORMAT " bounce %d",
+                        atom->tag[i],j,update->ntimestep,ibounce+1);
-                        atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
+		if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
-              if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
+		error->warning(FLERR,str);
-              error->warning(FLERR,str);
+	      }
             }
             break;
           }
@@ -1493,13 +1495,22 @@ void FixSRD::collisions_multi()
             ninside++;
             if (insideflag == INSIDE_ERROR || insideflag == INSIDE_WARN) {
               char str[128];
-              sprintf(str,
+              if (type != WALL) {
-                      "SRD particle " TAGINT_FORMAT " started "
+                sprintf(str,
-                      "inside big particle " TAGINT_FORMAT 
+                        "SRD particle " TAGINT_FORMAT " started "
-                      " on step " BIGINT_FORMAT " bounce %d",
+                        "inside big particle " TAGINT_FORMAT 
-                      atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
+                        " on step " BIGINT_FORMAT " bounce %d",
-              if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
+                        atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
-              error->warning(FLERR,str);
+		if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
+		error->warning(FLERR,str);
+	      } else{
+                sprintf(str,
+                        "SRD particle " TAGINT_FORMAT " started "
+                        "inside wall %d  on step " BIGINT_FORMAT " bounce %d",
+                        atom->tag[i],j,update->ntimestep,ibounce+1);
+		if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
+		error->warning(FLERR,str);
+	      }
             }
             t_first = 0.0;
             break;