git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13280 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2015-03-23 23:51:04 +00:00
parent db30c74d43
commit ac0b1d1ac3
11 changed files with 18 additions and 29 deletions

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@ -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->Xall(FLERR,"Atom sort did not operate correctly");
//if (flagall) errorX->all(FLERR,"Atom sort did not operate correctly");
}
/* ----------------------------------------------------------------------
@ -218,7 +218,6 @@ void AtomKokkos::grow(unsigned int mask){
avec->grow_reset();
sync(Host, mask);
}
}
/* ---------------------------------------------------------------------- */

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@ -184,7 +184,7 @@ long-range Coulombic or dispersion components be used.
E: Must use 'kspace_modify pressure/scalar no' to obtain per-atom virial with kspace_style MSM
Self-explanatory.
The kspace scalar pressure option cannot be used to obtain per-atom virial.
E: KSpace accuracy must be > 0

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@ -229,13 +229,11 @@ invalid.
E: Potential file has duplicate entry
The potential file for a SW or Tersoff potential has more than
one entry for the same 3 ordered elements.
The potential file has more than one entry for the same element.
E: Potential file is missing an entry
The potential file for a SW or Tersoff potential does not have a
needed entry.
The potential file does not have a needed entry.
W: Pair COMB charge %.10f with force %.10f hit min barrier

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@ -104,12 +104,10 @@ invalid.
E: Potential file has duplicate entry
The potential file for a SW or Tersoff potential has more than
one entry for the same 3 ordered elements.
The potential file has more than one entry for the same element.
E: Potential file is missing an entry
The potential file for a SW or Tersoff potential does not have a
needed entry.
The potential file does not have a needed entry.
*/

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@ -111,12 +111,10 @@ invalid.
E: Potential file has duplicate entry
The potential file for a SW or Tersoff potential has more than
one entry for the same 3 ordered elements.
The potential file has more than one entry for the same element.
E: Potential file is missing an entry
The potential file for a SW or Tersoff potential does not have a
needed entry.
The potential file does not have a needed entry.
*/

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@ -172,12 +172,10 @@ invalid.
E: Potential file has duplicate entry
The potential file for a SW or Tersoff potential has more than
one entry for the same 3 ordered elements.
The potential file has more than one entry for the same element.
E: Potential file is missing an entry
The potential file for a SW or Tersoff potential does not have a
needed entry.
The potential file does not have a needed entry.
*/

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@ -96,12 +96,10 @@ invalid.
E: Potential file has duplicate entry
The potential file for a SW or Tersoff potential has more than
one entry for the same 3 ordered elements.
The potential file has more than one entry for the same element.
E: Potential file is missing an entry
The potential file for a SW or Tersoff potential does not have a
needed entry.
The potential file does not have a needed entry.
*/

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@ -254,6 +254,6 @@ UNDOCUMENTED
E: Too many total atoms
UNDOCUMENTED
See the setting for bigint in the src/lmptype.h file.
*/

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@ -67,8 +67,8 @@ path and name are correct.
E: Too much per-proc info for dump
The size of the buffered string must fit in a 32-bit integer for a
dump.
Number of local atoms times number of columns must fit in a 32-bit
integer for dump.
E: Dump cfg requires one snapshot per file

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@ -72,8 +72,8 @@ 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.
This matching is defined by the python-style variable and the python
command.
E: Cannot embed Python when also extending Python with LAMMPS

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@ -135,7 +135,7 @@ Self-explanatory.
E: Fix rigid npt/nph does not yet allow triclinic box
Self-explanatory.
This is a current restriction in LAMMPS.
E: Cannot use fix rigid npt/nph and fix deform on same component of stress tensor