forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7761 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
parent
e883c3c2fa
commit
1217612ab6
|
@ -52,7 +52,7 @@ command-line option when running LAMMPS to see the offending line.
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E: Compute erotate/asphere requires atom style ellipsoid or line or tri
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UNDOCUMENTED
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Self-explanatory.
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E: Compute erotate/asphere requires extended particles
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@ -60,7 +60,7 @@ command-line option when running LAMMPS to see the offending line.
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E: Compute temp/asphere requires atom style ellipsoid
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UNDOCUMENTED
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Self-explanatory.
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E: Compute temp/asphere requires extended particles
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@ -41,7 +41,7 @@ class FixNHAsphere : public FixNH {
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E: Compute nvt/nph/npt asphere requires atom style ellipsoid
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UNDOCUMENTED
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Self-explanatory.
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E: Fix nvt/nph/npt asphere requires extended particles
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@ -44,7 +44,7 @@ class FixNVEAsphere : public FixNVE {
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E: Compute nve/asphere requires atom style ellipsoid
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UNDOCUMENTED
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Self-explanatory.
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E: Fix nve/asphere requires extended particles
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@ -50,10 +50,10 @@ command-line option when running LAMMPS to see the offending line.
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E: Fix nve/asphere/noforce requires atom style ellipsoid
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UNDOCUMENTED
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Self-explanatory.
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E: Fix nve/asphere/noforce requires extended particles
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UNDOCUMENTED
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One of the particles is not an ellipsoid.
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*/
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@ -53,14 +53,14 @@ command-line option when running LAMMPS to see the offending line.
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E: Fix nve/line requires atom style line
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UNDOCUMENTED
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Self-explanatory.
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E: Fix nve/line can only be used for 2d simulations
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UNDOCUMENTED
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Self-explanatory.
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E: Fix nve/line requires line particles
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UNDOCUMENTED
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Self-explanatory.
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*/
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@ -58,7 +58,7 @@ void FixNVETri::init()
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int i,itype;
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if (domain->dimension != 3)
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error->all(FLERR,"Fix nve/line can only be used for 3d simulations");
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error->all(FLERR,"Fix nve/tri can only be used for 3d simulations");
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// check that all particles are triangles
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// no point particles allowed
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@ -53,14 +53,14 @@ command-line option when running LAMMPS to see the offending line.
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E: Fix nve/tri requires atom style tri
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UNDOCUMENTED
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Self-explanatory.
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E: Fix nve/line can only be used for 3d simulations
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E: Fix nve/tri can only be used for 3d simulations
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UNDOCUMENTED
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Self-explanatory.
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E: Fix nve/tri requires tri particles
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UNDOCUMENTED
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Self-explanatory.
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*/
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@ -78,7 +78,7 @@ class PairGayBerne : public Pair {
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E: Pair gayberne requires atom style ellipsoid
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UNDOCUMENTED
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Self-explanatory.
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E: Illegal ... command
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@ -92,7 +92,7 @@ Self-explanatory. Check the input script or data file.
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E: Pair gayberne requires atoms with same type have same shape
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UNDOCUMENTED
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Self-explanatory.
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E: Pair gayberne epsilon a,b,c coeffs are not all set
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@ -101,6 +101,6 @@ have these 3 coefficients set at least once.
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E: Bad matrix inversion in mldivide3
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UNDOCUMENTED
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This error should not occur unless the matrix is badly formed.
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*/
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@ -64,7 +64,7 @@ class PairLineLJ : public Pair {
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E: Pair line/lj requires atom style line
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UNDOCUMENTED
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Self-explanatory.
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E: Illegal ... command
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@ -328,7 +328,7 @@ void PairRESquared::init_style()
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for (int i = 1; i <= atom->ntypes; i++) {
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if (!atom->shape_consistency(i,shape1[i][0],shape1[i][1],shape1[i][2]))
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error->all(FLERR,"Pair gayberne requires atoms with same type have same shape");
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error->all(FLERR,"Pair resquared requires atoms with same type have same shape");
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if (setwell[i]) {
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shape2[i][0] = shape1[i][0]*shape1[i][0];
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shape2[i][1] = shape1[i][1]*shape1[i][1];
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@ -100,7 +100,7 @@ class PairRESquared : public Pair {
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E: Pair resquared requires atom style ellipsoid
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UNDOCUMENTED
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Self-explanatory.
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E: Illegal ... command
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@ -112,9 +112,9 @@ E: Incorrect args for pair coefficients
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Self-explanatory. Check the input script or data file.
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E: Pair gayberne requires atoms with same type have same shape
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E: Pair resquared requires atoms with same type have same shape
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UNDOCUMENTED
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Self-explanatory.
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E: Pair resquared epsilon a,b,c coeffs are not all set
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@ -126,6 +126,6 @@ Self-explanatory.
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E: Bad matrix inversion in mldivide3
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UNDOCUMENTED
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This error should not occur unless the matrix is badly formed.
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*/
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@ -64,7 +64,7 @@ class PairTriLJ : public Pair {
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E: Pair tri/lj requires atom style tri
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UNDOCUMENTED
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Self-explanatory.
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E: Illegal ... command
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@ -60,7 +60,7 @@ class DihedralClass2 : public Dihedral {
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W: Dihedral problem: %d %ld %d %d %d %d
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Conformation of the 4 listed dihedral atoms is extreme; you may want
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to check your simulation geometry. :dd
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to check your simulation geometry.
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E: Invalid coeffs for this dihedral style
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@ -55,7 +55,7 @@ class ImproperClass2 : public Improper {
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W: Improper problem: %d %ld %d %d %d %d
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Conformation of the 4 listed improper atoms is extreme; you may want
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to check your simulation geometry. :dd
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to check your simulation geometry.
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E: Incorrect args for improper coefficients
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@ -44,11 +44,11 @@ class FixWallColloid : public FixWall {
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E: Fix wall/colloid requires atom style sphere
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UNDOCUMENTED
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Self-explanatory.
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E: Fix wall/colloid requires extended particles
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Self-explanatory.
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One of the particles has radius 0.0.
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E: Particle on or inside fix wall surface
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@ -43,10 +43,10 @@ class PairYukawaColloid : public PairYukawa {
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E: Pair yukawa/colloid requires atom style sphere
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UNDOCUMENTED
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Self-explantory.
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E: Pair yukawa/colloid requires atoms with same type have same radius
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UNDOCUMENTED
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Self-explantory.
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*/
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@ -65,6 +65,6 @@ Self-explanatory. Check the input script or data file.
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E: Pair dipole/cut requires atom attributes q, mu, torque
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UNDOCUMENTED
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The atom style defined does not have these attributes.
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*/
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@ -71,18 +71,18 @@ Self-explanatory. Check the input script or data file.
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E: Pair brownian requires atom style sphere
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UNDOCUMENTED
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Self-explanatory.
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W: Pair brownian needs newton pair on for momentum conservation
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UNDOCUMENTED
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Self-explanatory.
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E: Pair brownian requires extended particles
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UNDOCUMENTED
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One of the particles has radius 0.0.
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E: Pair brownian requires monodisperse particles
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UNDOCUMENTED
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All particles must be the same finite size.
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*/
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@ -42,14 +42,14 @@ class PairBrownianPoly : public PairBrownian {
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E: Pair brownian/poly requires newton pair off
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UNDOCUMENTED
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Self-explanatory.
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E: Pair brownian/poly requires atom style sphere
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UNDOCUMENTED
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Self-explanatory.
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E: Pair brownian/poly requires extended particles
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UNDOCUMENTED
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One of the particles has radius 0.0.
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*/
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@ -72,7 +72,7 @@ Self-explanatory. Check the input script or data file.
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E: Pair lubricate requires atom style sphere
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UNDOCUMENTED
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Self-explanatory.
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E: Pair lubricate requires ghost atoms store velocity
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@ -80,10 +80,10 @@ Use the communicate vel yes command to enable this.
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E: Pair lubricate requires monodisperse particles
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UNDOCUMENTED
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All particles must be the same finite size.
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E: Using pair lubricate with inconsistent fix deform remap option
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UNDOCUMENTED
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If fix deform is used, the remap v option is required.
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*/
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@ -87,14 +87,14 @@ Self-explanatory. Check the input script or data file.
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E: Pair lubricateU requires atom style sphere
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UNDOCUMENTED
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Self-explanatory.
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E: Pair lubricateU requires ghost atoms store velocity
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UNDOCUMENTED
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Use the communicate vel yes command to enable this.
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E: Pair lubricateU requires monodisperse particles
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UNDOCUMENTED
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All particles must be the same finite size.
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*/
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@ -54,18 +54,18 @@ command-line option when running LAMMPS to see the offending line.
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E: Pair lubricateU/poly requires newton pair off
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UNDOCUMENTED
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Self-explanatory.
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E: Pair lubricateU/poly requires ghost atoms store velocity
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UNDOCUMENTED
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Use the communicate vel yes command to enable this.
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E: Pair lubricate/poly requires atom style sphere
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UNDOCUMENTED
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Self-explanatory.
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E: Pair lubricate/poly requires extended particles
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UNDOCUMENTED
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One of the particles has radius 0.0.
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*/
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@ -41,22 +41,22 @@ class PairLubricatePoly : public PairLubricate {
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E: Pair lubricate/poly requires newton pair off
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UNDOCUMENTED
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Self-explanatory.
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E: Pair lubricate/poly requires ghost atoms store velocity
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UNDOCUMENTED
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Use the communicate vel yes command to enable this.
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E: Pair lubricate/poly requires atom style sphere
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UNDOCUMENTED
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Self-explanatory.
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E: Pair lubricate/poly requires extended particles
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UNDOCUMENTED
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One of the particles has radius 0.0.
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E: Using pair lubricate/poly with inconsistent fix deform remap option
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UNDOCUMENTED
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If fix deform is used, the remap v option is required.
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*/
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@ -50,7 +50,8 @@ class FixGPU : public Fix {
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E: Cannot use fix GPU with USER-CUDA mode enabled
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UNDOCUMENTED
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You cannot use both the GPU and USER-CUDA packages
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together. Use one or the other.
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E: Illegal ... command
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|
@ -65,11 +66,12 @@ in LAMMPS.
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E: Cannot use force/hybrid_neigh with triclinic box
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UNDOCUMENTED
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Self-explanatory.
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E: No OpenMP support compiled in
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UNDOCUMENTED
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An OpenMP flag is set, but LAMMPS was not built with
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OpenMP support.
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E: Cannot use pair hybrid with GPU neighbor builds
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@ -77,7 +79,7 @@ See documentation for fix gpu.
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E: Fix GPU split must be positive for hybrid pair styles
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UNDOCUMENTED
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Self-explanatory.
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E: Cannot use neigh_modify exclude with GPU neighbor builds
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@ -56,8 +56,52 @@ namespace GPU_EXTRA {
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inline void gpu_ready(LAMMPS_NS::Modify *modify, LAMMPS_NS::Error *error) {
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int ifix = modify->find_fix("package_gpu");
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if (ifix < 0)
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error->all(FLERR,"The 'package gpu' command is required for /gpu styles");
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error->all(FLERR,"The package gpu command is required for gpu styles");
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};
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}
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#endif
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/* ERROR/WARNING messages:
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E: Accelerated style in input script but no fix gpu
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UNDOCUMENTED
|
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E: Could not find/initialize a specified accelerator device
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UNDOCUMENTED
|
||||
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E: Insufficient memory on accelerator
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UNDOCUMENTED
|
||||
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E: GPU library not compiled for this accelerator
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||||
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UNDOCUMENTED
|
||||
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E: Double precision is not supported on this accelerator
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||||
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UNDOCUMENTED
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||||
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E: Unable to initialize accelerator for use
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UNDOCUMENTED
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||||
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E: Accelerator sharing is not currently supported on system
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UNDOCUMENTED
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E: GPU particle split must be set to 1 for this pair style.
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UNDOCUMENTED
|
||||
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E: Unknown error in GPU library
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UNDOCUMENTED
|
||||
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||||
E: The package gpu command is required for gpu styles
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||||
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||||
UNDOCUMENTED
|
||||
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||||
*/
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|
|
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@ -49,14 +49,11 @@ class PairBuckCoulCutGPU : public PairBuckCoulCut {
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|||
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E: Out of memory on GPGPU
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||||
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||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with buck/coul/cut/gpu pair style
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||||
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||||
UNDOCUMENTED
|
||||
|
||||
U: Pair style buck/coul/cut/gpu requires atom attribute q
|
||||
|
||||
The atom style defined does not have this attribute.
|
||||
Self-explanatory.
|
||||
|
||||
*/
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||||
|
|
|
@ -49,7 +49,8 @@ class PairBuckCoulLongGPU : public PairBuckCoulLong {
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|||
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E: Out of memory on GPGPU
|
||||
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||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Pair style buck/coul/long/gpu requires atom attribute q
|
||||
|
||||
|
@ -57,10 +58,11 @@ The atom style defined does not have this attribute.
|
|||
|
||||
E: Cannot use newton pair with buck/coul/long/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair style is incompatible with KSpace style
|
||||
|
||||
UNDOCUMENTED
|
||||
If a pair style with a long-range Coulombic component is selected,
|
||||
then a kspace style must also be used.
|
||||
|
||||
*/
|
||||
|
|
|
@ -49,10 +49,11 @@ class PairBuckGPU : public PairBuck {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with buck/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -49,15 +49,16 @@ class PairCoulLongGPU : public PairCoulLong {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Pair style coul/long/gpu requires atom attribute q
|
||||
|
||||
UNDOCUMENTED
|
||||
The atom style defined does not have these attributes.
|
||||
|
||||
E: Cannot use newton pair with coul/long/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair style is incompatible with KSpace style
|
||||
|
||||
|
|
|
@ -44,18 +44,20 @@ public:
|
|||
|
||||
E: Incorrect args for pair coefficients
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
||||
E: No matching element in EAM potential file
|
||||
|
||||
UNDOCUMENTED
|
||||
The EAM potential file does not contain elements that match the
|
||||
requested elements.
|
||||
|
||||
E: Cannot open EAM potential file %s
|
||||
|
||||
UNDOCUMENTED
|
||||
The specified EAM potential file cannot be opened. Check that the
|
||||
path and name are correct.
|
||||
|
||||
E: Incorrect element names in EAM potential file
|
||||
|
||||
UNDOCUMENTED
|
||||
The element names in the EAM file do not match those requested.
|
||||
|
||||
*/
|
||||
|
|
|
@ -44,18 +44,20 @@ public:
|
|||
|
||||
E: Incorrect args for pair coefficients
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
||||
E: No matching element in EAM potential file
|
||||
|
||||
UNDOCUMENTED
|
||||
The EAM potential file does not contain elements that match the
|
||||
requested elements.
|
||||
|
||||
E: Cannot open EAM potential file %s
|
||||
|
||||
UNDOCUMENTED
|
||||
The specified EAM potential file cannot be opened. Check that the
|
||||
path and name are correct.
|
||||
|
||||
E: Incorrect element names in EAM potential file
|
||||
|
||||
UNDOCUMENTED
|
||||
The element names in the EAM file do not match those requested.
|
||||
|
||||
*/
|
||||
|
|
|
@ -56,11 +56,12 @@ class PairEAMGPU : public PairEAM {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with eam/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Not allocate memory eam/gpu pair style
|
||||
|
||||
|
|
|
@ -74,7 +74,7 @@ PairGayBerneGPU::PairGayBerneGPU(LAMMPS *lmp) : PairGayBerne(lmp),
|
|||
{
|
||||
avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid");
|
||||
if (!avec)
|
||||
error->all(FLERR,"Pair gayberne requires atom style ellipsoid");
|
||||
error->all(FLERR,"Pair gayberne/gpu requires atom style ellipsoid");
|
||||
quat_nmax = 0;
|
||||
quat = NULL;
|
||||
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
|
||||
|
|
|
@ -49,24 +49,21 @@ class PairGayBerneGPU : public PairGayBerne {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Pair gayberne requires atom style ellipsoid
|
||||
E: Pair gayberne/gpu requires atom style ellipsoid
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with gayberne/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Pair gayberne/gpu requires atom style ellipsoid
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair gayberne/gpu requires atoms with same type have same shape
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -49,10 +49,11 @@ class PairLJ96CutGPU : public PairLJ96Cut {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with lj96/cut/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -49,15 +49,16 @@ class PairLJCharmmCoulLongGPU : public PairLJCharmmCoulLong {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Pair style lj/charmm/coul/long/gpu requires atom attribute q
|
||||
|
||||
UNDOCUMENTED
|
||||
The atom style defined does not have this attribute.
|
||||
|
||||
E: Cannot use newton pair with lj/charmm/coul/long/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair style is incompatible with KSpace style
|
||||
|
||||
|
|
|
@ -49,15 +49,16 @@ class PairLJClass2CoulLongGPU : public PairLJClass2CoulLong {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Pair style lj/class2/coul/long/gpu requires atom attribute q
|
||||
|
||||
UNDOCUMENTED
|
||||
The atom style defined does not have this attribute.
|
||||
|
||||
E: Cannot use newton pair with lj/class2/coul/long/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair style is incompatible with KSpace style
|
||||
|
||||
|
|
|
@ -49,10 +49,11 @@ class PairLJClass2GPU : public PairLJClass2 {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with lj/class2/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -49,14 +49,15 @@ class PairLJCutCoulCutGPU : public PairLJCutCoulCut {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Pair style lj/cut/coul/cut/gpu requires atom attribute q
|
||||
|
||||
UNDOCUMENTED
|
||||
The atom style defined does not have this attribute.
|
||||
|
||||
E: Cannot use newton pair with lj/cut/coul/cut/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -49,15 +49,16 @@ class PairLJCutCoulLongGPU : public PairLJCutCoulLong {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Pair style lj/cut/coul/long/gpu requires atom attribute q
|
||||
|
||||
UNDOCUMENTED
|
||||
The atom style defined does not have this attribute.
|
||||
|
||||
E: Cannot use newton pair with lj/cut/coul/long/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair style is incompatible with KSpace style
|
||||
|
||||
|
|
|
@ -49,10 +49,11 @@ class PairLJCutGPU : public PairLJCut {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with lj/cut/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -49,10 +49,11 @@ class PairLJExpandGPU : public PairLJExpand {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with lj/expand/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -51,18 +51,20 @@ class PairLJSDKCoulLongGPU : public PairLJSDKCoulLong {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Pair style lj/sdk/coul/long/gpu requires atom attribute q
|
||||
|
||||
UNDOCUMENTED
|
||||
The atom style defined does not have this attribute.
|
||||
|
||||
E: Cannot use newton pair with lj/sdk/coul/long/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair style is incompatible with KSpace style
|
||||
|
||||
UNDOCUMENTED
|
||||
If a pair style with a long-range Coulombic component is selected,
|
||||
then a kspace style must also be used.
|
||||
|
||||
*/
|
||||
|
|
|
@ -51,10 +51,11 @@ class PairLJSDKGPU : public PairLJSDK {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with lj/sdk/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -49,10 +49,11 @@ class PairMorseGPU : public PairMorse {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with morse/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -73,7 +73,7 @@ PairRESquaredGPU::PairRESquaredGPU(LAMMPS *lmp) : PairRESquared(lmp),
|
|||
{
|
||||
avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid");
|
||||
if (!avec)
|
||||
error->all(FLERR,"Pair gayberne requires atom style ellipsoid");
|
||||
error->all(FLERR,"Pair resquared/gpu requires atom style ellipsoid");
|
||||
quat_nmax = 0;
|
||||
quat = NULL;
|
||||
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
|
||||
|
|
|
@ -49,24 +49,21 @@ class PairRESquaredGPU : public PairRESquared {
|
|||
|
||||
/* ERROR/WARNING messages:
|
||||
|
||||
E: Pair gayberne requires atom style ellipsoid
|
||||
E: Pair resquared/gpu requires atom style ellipsoid
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with resquared/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Pair resquared/gpu requires atom style ellipsoid
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair resquared/gpu requires atoms with same type have same shape
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -49,15 +49,16 @@ class PairTableGPU : public PairTable {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with table/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair distance < table inner cutoff
|
||||
|
||||
UNDOCUMENTED
|
||||
Two atoms are closer together than the pairwise table allows.
|
||||
|
||||
E: Pair distance > table outer cutoff
|
||||
|
||||
|
|
|
@ -49,10 +49,11 @@ class PairYukawaGPU : public PairYukawa {
|
|||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Cannot use newton pair with yukawa/gpu pair style
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -1,4 +1,4 @@
|
|||
/* ----------------------------------------------------------------------
|
||||
ndoc/* ----------------------------------------------------------------------
|
||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||
http://lammps.sandia.gov, Sandia National Laboratories
|
||||
Steve Plimpton, sjplimp@sandia.gov
|
||||
|
@ -67,11 +67,12 @@ command-line option when running LAMMPS to see the offending line.
|
|||
|
||||
E: Cannot use order greater than 8 with pppm/gpu.
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Out of memory on GPGPU
|
||||
|
||||
UNDOCUMENTED
|
||||
GPU memory is limited. Reduce the size of the problem or increase the
|
||||
number of GPUs.
|
||||
|
||||
E: Out of range atoms - cannot compute PPPM
|
||||
|
||||
|
|
|
@ -85,7 +85,7 @@ command-line option when running LAMMPS to see the offending line.
|
|||
|
||||
E: Fix wall/gran requires atom style sphere
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Cannot use wall in periodic dimension
|
||||
|
||||
|
|
|
@ -80,7 +80,7 @@ Self-explanatory. Check the input script or data file.
|
|||
|
||||
E: Pair granular requires atom style sphere
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair granular requires ghost atoms store velocity
|
||||
|
||||
|
|
|
@ -35,8 +35,6 @@
|
|||
|
||||
using namespace LAMMPS_NS;
|
||||
|
||||
|
||||
|
||||
/* ---------------------------------------------------------------------- */
|
||||
|
||||
PairKIM::PairKIM(LAMMPS *lmp) : Pair(lmp)
|
||||
|
@ -298,7 +296,7 @@ void PairKIM::coeff(int narg, char **arg)
|
|||
void PairKIM::init_style()
|
||||
{
|
||||
if (force->newton_pair != 0)
|
||||
error->all(FLERR,"Pair style pair_KIM requires newton pair Off");
|
||||
error->all(FLERR,"Pair style kim requires newton pair off");
|
||||
|
||||
// setup onebuf for neighbors of one atom if needed
|
||||
|
||||
|
@ -460,14 +458,14 @@ int PairKIM::get_neigh(void **kimmdl,int *mode,int *request,
|
|||
self->pointsto =0;
|
||||
*numnei=0;
|
||||
return KIM_STATUS_NEIGH_ITER_INIT_OK; //succsesful restart
|
||||
} else if(*request==1){//increment iterator
|
||||
if (self->pointsto > inum || inum <0){
|
||||
} else if (*request==1) { //increment iterator
|
||||
if (self->pointsto > inum || inum <0) {
|
||||
self->error->one(FLERR,"KIM neighbor iterator exceeded range");
|
||||
}else if(self->pointsto == inum) {
|
||||
} else if (self->pointsto == inum) {
|
||||
self->pointsto ==0;
|
||||
*numnei=0;
|
||||
return KIM_STATUS_NEIGH_ITER_PAST_END; //reached end by iterator
|
||||
}else{
|
||||
} else{
|
||||
*atom = ilist[self->pointsto];
|
||||
*numnei = numneigh[*atom];
|
||||
|
||||
|
@ -486,7 +484,7 @@ int PairKIM::get_neigh(void **kimmdl,int *mode,int *request,
|
|||
if (*numnei > KIM_API_MAX_NEIGHBORS)
|
||||
return KIM_STATUS_NEIGH_TOO_MANY_NEIGHBORS;
|
||||
if (pkim->support_Rij){
|
||||
for( jj=0; jj < *numnei; jj++){
|
||||
for (jj=0; jj < *numnei; jj++){
|
||||
int i = *atom;
|
||||
j = (*nei1atom)[jj];
|
||||
self->Rij[jj*3 +0] = -x[i*3+0] + x[j*3+0];
|
||||
|
@ -531,10 +529,9 @@ int PairKIM::get_neigh(void **kimmdl,int *mode,int *request,
|
|||
}
|
||||
}
|
||||
return KIM_STATUS_OK;//successful end
|
||||
}else{
|
||||
return KIM_STATUS_NEIGH_INVALID_MODE;//invalid mode
|
||||
}
|
||||
return -16;//should not get here: unspecified error
|
||||
} else return KIM_STATUS_NEIGH_INVALID_MODE;//invalid mode
|
||||
|
||||
return -16; //should not get here: unspecified error
|
||||
}
|
||||
|
||||
/* ---------------------------------------------------------------------- */
|
||||
|
|
|
@ -117,34 +117,40 @@ class PairKIM : public Pair {
|
|||
|
||||
E: Illegal ... command
|
||||
|
||||
UNDOCUMENTED
|
||||
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
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory. Check the input script or data file.
|
||||
|
||||
E: Pair style pair_KIM requires newton pair Off
|
||||
E: Pair style kim requires newton pair off
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: All pair coeffs are not set
|
||||
|
||||
UNDOCUMENTED
|
||||
All pair coefficients must be set in the data file or by the
|
||||
pair_coeff command before running a simulation.
|
||||
|
||||
E: KIM neighbor iterator exceeded range
|
||||
|
||||
UNDOCUMENTED
|
||||
This error should not normally occur if the KIM library is working
|
||||
correctly.
|
||||
|
||||
E: KIM_DIR environement variable is unset
|
||||
|
||||
UNDOCUMENTED
|
||||
The KIM library requires that this environment variable be set before
|
||||
running LAMMPS>
|
||||
|
||||
E: PWD environement variable is unset
|
||||
|
||||
UNDOCUMENTED
|
||||
The KIM library requires that this environment variable be set before
|
||||
running LAMMPS>
|
||||
|
||||
E: KIM initialization failed
|
||||
|
||||
UNDOCUMENTED
|
||||
This is an error return from the KIM library.
|
||||
|
||||
*/
|
||||
|
|
|
@ -48,7 +48,7 @@ class PPPMTIP4P : public PPPM {
|
|||
|
||||
E: Kspace style pppm/tip4p requires newton on
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Out of range atoms - cannot compute PPPM
|
||||
|
||||
|
|
|
@ -107,14 +107,16 @@ Self-explanatory. Check the input script or data file.
|
|||
|
||||
E: No matching element in ADP potential file
|
||||
|
||||
UNDOCUMENTED
|
||||
The ADP potential file does not contain elements that match the
|
||||
requested elements.
|
||||
|
||||
E: Cannot open ADP potential file %s
|
||||
|
||||
UNDOCUMENTED
|
||||
The specified ADP potential file cannot be opened. Check that the
|
||||
path and name are correct.
|
||||
|
||||
E: Incorrect element names in ADP potential file
|
||||
|
||||
UNDOCUMENTED
|
||||
The element names in the ADP file do not match those requested.
|
||||
|
||||
*/
|
||||
|
|
|
@ -54,7 +54,7 @@ class BondFENE : public Bond {
|
|||
W: FENE bond too long: %ld %d %d %g
|
||||
|
||||
A FENE bond has stretched dangerously far. It's interaction strength
|
||||
will be truncated to attempt to prevent the bond from blowing up. :dd
|
||||
will be truncated to attempt to prevent the bond from blowing up.
|
||||
|
||||
E: Bad FENE bond
|
||||
|
||||
|
@ -72,6 +72,6 @@ Most FENE models need this setting for the special_bonds command.
|
|||
W: FENE bond too long: %ld %g
|
||||
|
||||
A FENE bond has stretched dangerously far. It's interaction strength
|
||||
will be truncated to attempt to prevent the bond from blowing up. :dd
|
||||
will be truncated to attempt to prevent the bond from blowing up.
|
||||
|
||||
*/
|
||||
|
|
|
@ -54,7 +54,7 @@ class BondFENEExpand : public Bond {
|
|||
W: FENE bond too long: %ld %d %d %g
|
||||
|
||||
A FENE bond has stretched dangerously far. It's interaction strength
|
||||
will be truncated to attempt to prevent the bond from blowing up. :dd
|
||||
will be truncated to attempt to prevent the bond from blowing up.
|
||||
|
||||
E: Bad FENE bond
|
||||
|
||||
|
@ -72,6 +72,6 @@ Most FENE models need this setting for the special_bonds command.
|
|||
W: FENE bond too long: %ld %g
|
||||
|
||||
A FENE bond has stretched dangerously far. It's interaction strength
|
||||
will be truncated to attempt to prevent the bond from blowing up. :dd
|
||||
will be truncated to attempt to prevent the bond from blowing up.
|
||||
|
||||
*/
|
||||
|
|
|
@ -54,7 +54,7 @@ class DihedralCharmm : public Dihedral {
|
|||
W: 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. :dd
|
||||
to check your simulation geometry.
|
||||
|
||||
E: Incorrect args for dihedral coefficients
|
||||
|
||||
|
|
|
@ -51,7 +51,7 @@ class DihedralHarmonic : public Dihedral {
|
|||
W: 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. :dd
|
||||
to check your simulation geometry.
|
||||
|
||||
E: Incorrect args for dihedral coefficients
|
||||
|
||||
|
|
|
@ -50,7 +50,7 @@ class DihedralHelix : public Dihedral {
|
|||
W: 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. :dd
|
||||
to check your simulation geometry.
|
||||
|
||||
E: Incorrect args for dihedral coefficients
|
||||
|
||||
|
|
|
@ -50,7 +50,7 @@ class DihedralMultiHarmonic : public Dihedral {
|
|||
W: 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. :dd
|
||||
to check your simulation geometry.
|
||||
|
||||
E: Incorrect args for dihedral coefficients
|
||||
|
||||
|
|
|
@ -50,7 +50,7 @@ class DihedralOPLS : public Dihedral {
|
|||
W: 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. :dd
|
||||
to check your simulation geometry.
|
||||
|
||||
E: Incorrect args for dihedral coefficients
|
||||
|
||||
|
|
|
@ -51,7 +51,7 @@ class ImproperCvff : public Improper {
|
|||
W: 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. :dd
|
||||
to check your simulation geometry.
|
||||
|
||||
E: Incorrect args for improper coefficients
|
||||
|
||||
|
|
|
@ -50,7 +50,7 @@ class ImproperHarmonic : public Improper {
|
|||
W: 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. :dd
|
||||
to check your simulation geometry.
|
||||
|
||||
E: Incorrect args for improper coefficients
|
||||
|
||||
|
|
|
@ -50,7 +50,7 @@ class ImproperUmbrella : public Improper {
|
|||
W: 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. :dd
|
||||
to check your simulation geometry.
|
||||
|
||||
E: Incorrect args for improper coefficients
|
||||
|
||||
|
|
|
@ -83,7 +83,7 @@ pair_coeff command before running a simulation.
|
|||
|
||||
E: Pair style peri requires atom style peri
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair peri requires an atom map, see atom_modify
|
||||
|
||||
|
|
|
@ -76,7 +76,7 @@ pair_coeff command before running a simulation.
|
|||
|
||||
E: Pair style peri requires atom style peri
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Pair peri requires an atom map, see atom_modify
|
||||
|
||||
|
|
|
@ -106,7 +106,7 @@ for NEB.
|
|||
|
||||
E: Too many timesteps
|
||||
|
||||
UNDOCUMENTED
|
||||
The cummulative timesteps must fit in a 64-bit integer.
|
||||
|
||||
E: Incorrect format in NEB coordinate file
|
||||
|
||||
|
|
|
@ -120,7 +120,7 @@ after the PRD simulation.
|
|||
|
||||
E: Too many timesteps
|
||||
|
||||
UNDOCUMENTED
|
||||
The cummulative timesteps must fit in a 64-bit integer.
|
||||
|
||||
E: Cannot use PRD with a time-dependent fix defined
|
||||
|
||||
|
|
|
@ -144,7 +144,7 @@ after the PRD simulation.
|
|||
|
||||
E: Too many timesteps
|
||||
|
||||
UNDOCUMENTED
|
||||
The cummulative timesteps must fit in a 64-bit integer.
|
||||
|
||||
E: Too many iterations
|
||||
|
||||
|
|
|
@ -96,7 +96,7 @@ temperature (nvt or langevin).
|
|||
|
||||
E: Too many timesteps
|
||||
|
||||
UNDOCUMENTED
|
||||
The cummulative timesteps must fit in a 64-bit integer.
|
||||
|
||||
E: Tempering could not find thermo_pe compute
|
||||
|
||||
|
|
|
@ -57,18 +57,20 @@ class VerletSplit : public Verlet {
|
|||
|
||||
E: Verlet/split requires 2 partitions
|
||||
|
||||
UNDOCUMENTED
|
||||
See the -partition command-line switch.
|
||||
|
||||
E: Verlet/split requires Rspace partition size be multiple of Kspace partition size
|
||||
|
||||
UNDOCUMENTED
|
||||
This is so there is an equal number of Rspace processors for every
|
||||
Kspace processor.
|
||||
|
||||
E: Verlet/split requires Rspace partition layout be multiple of Kspace partition layout in each dim
|
||||
|
||||
UNDOCUMENTED
|
||||
This is controlled by the processors command.
|
||||
|
||||
W: No Kspace calculation with verlet/split
|
||||
|
||||
UNDOCUMENTED
|
||||
The 2nd partition performs a kspace calculation so the kspace_style
|
||||
command must be used.
|
||||
|
||||
*/
|
||||
|
|
|
@ -1190,13 +1190,13 @@ void FixSRD::collisions_single()
|
|||
sprintf(str,
|
||||
"SRD particle %d started "
|
||||
"inside big particle %d on step " BIGINT_FORMAT
|
||||
" bounce %d\n",
|
||||
" bounce %d",
|
||||
atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
|
||||
else
|
||||
sprintf(str,
|
||||
"SRD particle %d started "
|
||||
"inside big particle %d on step " BIGINT_FORMAT
|
||||
" bounce %d\n",
|
||||
" bounce %d",
|
||||
atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
|
||||
if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
|
||||
error->warning(FLERR,str);
|
||||
|
@ -1344,7 +1344,7 @@ void FixSRD::collisions_multi()
|
|||
sprintf(str,
|
||||
"SRD particle %d started "
|
||||
"inside big particle %d on step " BIGINT_FORMAT
|
||||
" bounce %d\n",
|
||||
" bounce %d",
|
||||
atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
|
||||
if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
|
||||
error->warning(FLERR,str);
|
||||
|
|
|
@ -298,7 +298,8 @@ deform needs to be used.
|
|||
|
||||
W: Using fix srd with box deformation but no SRD thermostat
|
||||
|
||||
UNDOCUMENTED
|
||||
The deformation will heat the SRD particles so this can
|
||||
be dangerous.
|
||||
|
||||
W: Fix srd SRD moves may trigger frequent reneighboring
|
||||
|
||||
|
@ -328,17 +329,23 @@ E: Fix SRD: bad bin assignment for SRD advection
|
|||
Something has gone wrong in your SRD model; try using more
|
||||
conservative settings.
|
||||
|
||||
E: SRD particle %d started inside big particle %d on step %ld bounce %d\n
|
||||
E: SRD particle %d started inside big particle %d on step %ld bounce %d
|
||||
|
||||
UNDOCUMENTED
|
||||
See the inside keyword if you want this message to be an error vs
|
||||
warning.
|
||||
|
||||
W: SRD particle %d started inside big particle %d on step %ld bounce %d
|
||||
|
||||
See the inside keyword if you want this message to be an error vs
|
||||
warning.
|
||||
|
||||
E: Bad quadratic solve for particle/line collision
|
||||
|
||||
UNDOCUMENTED
|
||||
This is an internal error. It should nornally not occur.
|
||||
|
||||
E: Bad quadratic solve for particle/tri collision
|
||||
|
||||
UNDOCUMENTED
|
||||
This is an internal error. It should nornally not occur.
|
||||
|
||||
W: Fix srd particle moved outside valid domain
|
||||
|
||||
|
@ -350,11 +357,11 @@ Big particles must be extended spheriods or ellipsoids.
|
|||
|
||||
E: Cannot use lines with fix srd unless overlap is set
|
||||
|
||||
UNDOCUMENTED
|
||||
This is because line segements are connected to each other.
|
||||
|
||||
E: Cannot use tris with fix srd unless overlap is set
|
||||
|
||||
UNDOCUMENTED
|
||||
This is because triangles are connected to each other.
|
||||
|
||||
E: Fix srd requires SRD particles all have same mass
|
||||
|
||||
|
@ -366,11 +373,23 @@ This is not allowed. Make your SRD bin size smaller.
|
|||
|
||||
E: SRD bins for fix srd are not cubic enough
|
||||
|
||||
The bin shape is not within tolerance of cubic.
|
||||
The bin shape is not within tolerance of cubic. See the cubic
|
||||
keyword if you want this message to be an error vs warning.
|
||||
|
||||
W: SRD bins for fix srd are not cubic enough
|
||||
|
||||
The bin shape is not within tolerance of cubic. See the cubic
|
||||
keyword if you want this message to be an error vs warning.
|
||||
|
||||
E: SRD bin size for fix srd differs from user request
|
||||
|
||||
Fix SRD had to adjust the bin size to fit the simulation box.
|
||||
Fix SRD had to adjust the bin size to fit the simulation box. See the
|
||||
cubic keyword if you want this message to be an error vs warning.
|
||||
|
||||
W: SRD bin size for fix srd differs from user request
|
||||
|
||||
Fix SRD had to adjust the bin size to fit the simulation box. See the
|
||||
cubic keyword if you want this message to be an error vs warning.
|
||||
|
||||
E: Fix srd lamda must be >= 0.6 of SRD grid size
|
||||
|
||||
|
|
|
@ -277,11 +277,13 @@ atoms.
|
|||
|
||||
E: Incorrect bonus data format in data file
|
||||
|
||||
UNDOCUMENTED
|
||||
See the read_data doc page for a description of how various kinds of
|
||||
bonus data must be formatted for certain atom styles.
|
||||
|
||||
E: Invalid atom ID in Bonus section of data file
|
||||
|
||||
UNDOCUMENTED
|
||||
Atom IDs must be positive integers and within range of defined
|
||||
atoms.
|
||||
|
||||
E: Invalid atom ID in Bonds section of data file
|
||||
|
||||
|
|
|
@ -114,10 +114,10 @@ Density value cannot be <= 0.0.
|
|||
|
||||
E: Assigning ellipsoid parameters to non-ellipsoid atom
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Invalid shape in Ellipsoids section of data file
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -1154,17 +1154,16 @@ void AtomVecLine::consistency_check(int n, char *str)
|
|||
}
|
||||
|
||||
if (iflag) {
|
||||
char msg[128];
|
||||
sprintf(msg,"BAD VECLINE PTRS: %s: %d %d: %d\n",str,comm->me,
|
||||
update->ntimestep,iflag);
|
||||
error->one(FLERR,msg);
|
||||
printf("BAD vecline ptrs: %s: %d %d: %d\n",str,comm->me,
|
||||
update->ntimestep,iflag);
|
||||
MPI_Abort(world,1);
|
||||
}
|
||||
|
||||
if (count != nlocal_bonus) {
|
||||
char msg[128];
|
||||
sprintf(msg,"BAD VECLINE COUNT: %s: %d %d: %d %d\n",
|
||||
str,comm->me,update->ntimestep,count,nlocal_bonus);
|
||||
error->one(FLERR,msg);
|
||||
printf("BAD vecline count: %s: %d %d: %d %d\n",
|
||||
str,comm->me,update->ntimestep,count,nlocal_bonus);
|
||||
MPI_Abort(world,1);
|
||||
}
|
||||
}
|
||||
*/
|
||||
|
|
|
@ -99,7 +99,7 @@ class AtomVecLine : public AtomVec {
|
|||
|
||||
E: Atom_style line can only be used in 2d simulations
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Per-processor system is too big
|
||||
|
||||
|
@ -120,18 +120,11 @@ Density value cannot be <= 0.0.
|
|||
|
||||
E: Assigning line parameters to non-line atom
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Inconsistent line segment in data file
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: BAD VECLINE PTRS: %s: %d %d: %d\n
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: BAD VECLINE COUNT: %s: %d %d: %d %d\n
|
||||
|
||||
UNDOCUMENTED
|
||||
The end points of the line segment are not equal distances from the
|
||||
center point which is the atom coordinate.
|
||||
|
||||
*/
|
||||
|
|
|
@ -100,7 +100,7 @@ class AtomVecTri : public AtomVec {
|
|||
|
||||
E: Atom_style tri can only be used in 3d simulations
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Per-processor system is too big
|
||||
|
||||
|
@ -121,18 +121,20 @@ Density value cannot be <= 0.0.
|
|||
|
||||
E: Assigning tri parameters to non-tri atom
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Invalid shape in Triangles section of data file
|
||||
|
||||
UNDOCUMENTED
|
||||
Two or more of the triangle corners are duplicate points.
|
||||
|
||||
E: Inconsistent triangle in data file
|
||||
|
||||
UNDOCUMENTED
|
||||
The centroid of the triangle as defined by the corner points is not
|
||||
the atom coordinate.
|
||||
|
||||
E: Insufficient Jacobi rotations for triangle
|
||||
|
||||
UNDOCUMENTED
|
||||
The calculation of the intertia tensor of the triangle failed. This
|
||||
should not happen if it is a reasonably shaped triangle.
|
||||
|
||||
*/
|
||||
|
|
|
@ -87,8 +87,6 @@ void Balance::command(int narg, char **arg)
|
|||
|
||||
// parse arguments
|
||||
|
||||
if (narg < 1) error->all(FLERR,"Illegal balance command");
|
||||
|
||||
int dimension = domain->dimension;
|
||||
int *procgrid = comm->procgrid;
|
||||
xflag = yflag = zflag = NONE;
|
||||
|
|
|
@ -74,30 +74,34 @@ class Balance : protected Pointers {
|
|||
|
||||
E: Balance command before simulation box is defined
|
||||
|
||||
UNDOCUMENTED
|
||||
The balance command cannot be used before a read_data, read_restart,
|
||||
or create_box command.
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
UNDOCUMENTED
|
||||
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 balance in z dimension for 2d simulation
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Balance dynamic string is invalid
|
||||
|
||||
UNDOCUMENTED
|
||||
The string can only contain the characters "x", "y", or "z".
|
||||
|
||||
E: Balance dynamic string is invalid for 2d simulation
|
||||
|
||||
UNDOCUMENTED
|
||||
The string cannot contain the letter "z".
|
||||
|
||||
E: Lost atoms via balance: original %ld current %ld
|
||||
|
||||
UNDOCUMENTED
|
||||
This should not occur. Report the problem to the developers.
|
||||
|
||||
E: Cannot open balance output file
|
||||
|
||||
UNDOCUMENTED
|
||||
This error message can only occur if debug options
|
||||
are uncommented in src/balance.cpp.
|
||||
|
||||
*/
|
||||
|
|
|
@ -277,7 +277,8 @@ void ChangeBox::command(int narg, char **arg)
|
|||
domain->set_boundary(3,&arg[ops[i].boundindex],1);
|
||||
if (domain->dimension == 2 && domain->zperiodic == 0)
|
||||
error->all(FLERR,
|
||||
"Cannot run 2d simulation with nonperiodic Z dimension");
|
||||
"Cannot change box z boundary to "
|
||||
"nonperiodic for a 2d simulation");
|
||||
domain->set_initial_box();
|
||||
domain->set_global_box();
|
||||
domain->set_local_box();
|
||||
|
@ -371,7 +372,7 @@ void ChangeBox::command(int narg, char **arg)
|
|||
bigint natoms;
|
||||
bigint nblocal = atom->nlocal;
|
||||
MPI_Allreduce(&nblocal,&natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
|
||||
if (natoms != atom->natoms) {
|
||||
if (natoms != atom->natoms && comm->me == 0) {
|
||||
char str[128];
|
||||
sprintf(str,"Lost atoms via change_box: original " BIGINT_FORMAT
|
||||
" current " BIGINT_FORMAT,atom->natoms,natoms);
|
||||
|
|
106
src/change_box.h
106
src/change_box.h
|
@ -61,7 +61,7 @@ class ChangeBox : protected Pointers {
|
|||
|
||||
E: Change_box command before simulation box is defined
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
|
@ -71,91 +71,59 @@ command-line option when running LAMMPS to see the offending line.
|
|||
|
||||
E: Cannot change_box after reading restart file with per-atom info
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Could not find change_box group ID
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot change_box in z dimension for 2d simulation
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Change_box volume used incorrectly
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot change_box in xz or yz for 2d simulation
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Use of change_box with undefined lattice
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot change box tilt factors for orthogonal box
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot run 2d simulation with nonperiodic Z dimension
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot change box to orthogonal when tilt is non-zero
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot change box ortho/triclinic with dumps defined
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
E: Cannot change box ortho/triclinic with certain fixes defined
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
W: Lost atoms via change_box: original %ld current %ld
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Displace_box command before simulation box is defined
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
U: Cannot displace_box after reading restart file with per-atom info
|
||||
|
||||
This is because the restart file info cannot be migrated with the
|
||||
atoms. You can get around this by performing a 0-timestep run which
|
||||
will assign the restart file info to actual atoms.
|
||||
|
||||
U: Could not find displace_box group ID
|
||||
E: Could not find change_box group ID
|
||||
|
||||
Group ID used in the displace_box command does not exist.
|
||||
Group ID used in the change_box command does not exist.
|
||||
|
||||
U: Displace_box tilt factors require triclinic box
|
||||
|
||||
Cannot use tilt factors unless the simulation box is
|
||||
non-orthogonal.
|
||||
|
||||
U: Cannot displace_box on a non-periodic boundary
|
||||
E: Cannot change_box in z dimension for 2d simulation
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
U: Use of displace_box with undefined lattice
|
||||
E: Change_box volume used incorrectly
|
||||
|
||||
The "dim volume" option must be used immediately following one or two
|
||||
settings for "dim1 ..." (and optionally "dim2 ...") and must be for a
|
||||
different dimension, i.e. dim != dim1 and dim != dim2.
|
||||
|
||||
E: Cannot change_box in xz or yz for 2d simulation
|
||||
|
||||
Self-explanatory.
|
||||
|
||||
E: Use of change_box with undefined lattice
|
||||
|
||||
Must use lattice command with displace_box command if units option is
|
||||
set to lattice.
|
||||
|
||||
U: Fix deform volume setting is invalid
|
||||
E: Cannot change box tilt factors for orthogonal box
|
||||
|
||||
Cannot use volume style unless other dimensions are being controlled.
|
||||
Cannot use tilt factors unless the simulation box is non-orthogonal.
|
||||
|
||||
U: Induced tilt by displace_box is too large
|
||||
E: Cannot change box z boundary to nonperiodic for a 2d simulation
|
||||
|
||||
The final tilt value must be between -1/2 and 1/2 of the perpendicular
|
||||
box length.
|
||||
Self-explanatory.
|
||||
|
||||
U: Lost atoms via displace_box: original %ld current %ld
|
||||
E: Cannot change box to orthogonal when tilt is non-zero
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Cannot change box ortho/triclinic with dumps defined
|
||||
|
||||
This is because some dumps store the shape of the box. You need to
|
||||
use undump to discard the dump, change the box, then redefine a new
|
||||
dump.
|
||||
|
||||
E: Cannot change box ortho/triclinic with certain fixes defined
|
||||
|
||||
This is because those fixes store the shape of the box. You need to
|
||||
use unfix to discard the fix, change the box, then redefine a new
|
||||
fix.
|
||||
|
||||
W: Lost atoms via change_box: original %ld current %ld
|
||||
|
||||
The command options you have used caused atoms to be lost.
|
||||
|
||||
*/
|
||||
|
|
17
src/comm.h
17
src/comm.h
|
@ -157,30 +157,33 @@ Specified cutoff must be >= 0.0.
|
|||
|
||||
E: Specified processors != physical processors
|
||||
|
||||
UNDOCUMENTED
|
||||
The 3d grid of processors defined by the processors command does not
|
||||
match the number of processors LAMMPS is being run on.
|
||||
|
||||
E: Cannot use processors part command without using partitions
|
||||
|
||||
UNDOCUMENTED
|
||||
See the command-line -partition switch.
|
||||
|
||||
E: Invalid partitions in processors part command
|
||||
|
||||
UNDOCUMENTED
|
||||
Valid partitions are numbered 1 to N and the sender and receiver
|
||||
cannot be the same partition.
|
||||
|
||||
E: Sending partition in processors part command is already a sender
|
||||
|
||||
UNDOCUMENTED
|
||||
Cannot specify a partition to be a sender twice.
|
||||
|
||||
E: Receiving partition in processors part command is already a receiver
|
||||
|
||||
UNDOCUMENTED
|
||||
Cannot specify a partition to be a receiver twice.
|
||||
|
||||
E: Processors grid numa and map style are incompatible
|
||||
|
||||
UNDOCUMENTED
|
||||
Using numa for gstyle in the processors command requires using
|
||||
cart for the map option.
|
||||
|
||||
E: Processors part option and grid style are incompatible
|
||||
|
||||
UNDOCUMENTED
|
||||
Cannot use gstyle numa or custom with the part option.
|
||||
|
||||
*/
|
||||
|
|
|
@ -50,6 +50,6 @@ command-line option when running LAMMPS to see the offending line.
|
|||
|
||||
E: Compute erotate/sphere requires atom style sphere
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -96,7 +96,7 @@ void ComputePairLocal::init()
|
|||
|
||||
for (int i = 0; i < nvalues; i++)
|
||||
if (pstyle[i] == PN && pindex[i] >= force->pair->single_extra)
|
||||
error->all(FLERR,"Pair style does not have single field"
|
||||
error->all(FLERR,"Pair style does not have extra field"
|
||||
" requested by compute pair/local");
|
||||
|
||||
// need an occasional half neighbor list
|
||||
|
|
|
@ -75,10 +75,11 @@ Self-explanatory.
|
|||
E: Pair style does not support compute pair/local
|
||||
|
||||
The pair style does not have a single() function, so it can
|
||||
not be invoked by fix bond/swap.
|
||||
not be invoked by compute pair/local.
|
||||
|
||||
E: Pair style does not have single field requested by compute pair/local
|
||||
E: Pair style does not have extra field requested by compute pair/local
|
||||
|
||||
UNDOCUMENTED
|
||||
The pair style does not support the pN value requested by the compute
|
||||
pair/local command.
|
||||
|
||||
*/
|
||||
|
|
|
@ -96,7 +96,7 @@ Self-explanatory.
|
|||
|
||||
E: Compute reduce compute array is accessed out-of-range
|
||||
|
||||
Self-explanatory.
|
||||
An index for the array is out of bounds.
|
||||
|
||||
E: Compute reduce compute does not calculate a local vector
|
||||
|
||||
|
@ -124,7 +124,7 @@ Self-explanatory.
|
|||
|
||||
E: Compute reduce fix array is accessed out-of-range
|
||||
|
||||
Self-explanatory.
|
||||
An index for the array is out of bounds.
|
||||
|
||||
E: Compute reduce fix does not calculate a local vector
|
||||
|
||||
|
@ -148,7 +148,7 @@ Self-explanatory.
|
|||
|
||||
E: Fix used in compute reduce not computed at compatible time
|
||||
|
||||
Fixes generate their values on specific timesteps. Compute sum is
|
||||
Fixes generate their values on specific timesteps. Compute reduce is
|
||||
requesting a value on a non-allowed timestep.
|
||||
|
||||
*/
|
||||
|
|
|
@ -43,7 +43,7 @@ class ComputeReduceRegion : public ComputeReduce {
|
|||
|
||||
E: Fix used in compute reduce not computed at compatible time
|
||||
|
||||
Fixes generate their values on specific timesteps. Compute sum is
|
||||
Fixes generate their values on specific timesteps. Compute reduce is
|
||||
requesting a value on a non-allowed timestep.
|
||||
|
||||
*/
|
||||
|
|
|
@ -56,54 +56,55 @@ command-line option when running LAMMPS to see the offending line.
|
|||
|
||||
E: Compute ID for compute slice does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute slice compute does not calculate a global array
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute slice compute vector is accessed out-of-range
|
||||
|
||||
UNDOCUMENTED
|
||||
The index for the vector is out of bounds.
|
||||
|
||||
E: Compute slice compute does not calculate a global vector
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute slice compute array is accessed out-of-range
|
||||
|
||||
UNDOCUMENTED
|
||||
An index for the array is out of bounds.
|
||||
|
||||
E: Compute slice compute does not calculate global vector or array
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix ID for compute slice does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute slice fix does not calculate a global array
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute slice fix vector is accessed out-of-range
|
||||
|
||||
UNDOCUMENTED
|
||||
The index for the vector is out of bounds.
|
||||
|
||||
E: Compute slice fix does not calculate a global vector
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Compute slice fix array is accessed out-of-range
|
||||
|
||||
UNDOCUMENTED
|
||||
An index for the array is out of bounds.
|
||||
|
||||
E: Compute slice fix does not calculate global vector or array
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix used in compute slice not computed at compatible time
|
||||
|
||||
UNDOCUMENTED
|
||||
Fixes generate their values on specific timesteps. Compute slice is
|
||||
requesting a value on a non-allowed timestep.
|
||||
|
||||
*/
|
||||
|
|
|
@ -60,7 +60,7 @@ command-line option when running LAMMPS to see the offending line.
|
|||
|
||||
E: Compute temp/sphere requires atom style sphere
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Could not find compute ID for temperature bias
|
||||
|
||||
|
|
|
@ -211,11 +211,11 @@ void DisplaceAtoms::command(int narg, char **arg)
|
|||
bigint natoms;
|
||||
bigint nblocal = atom->nlocal;
|
||||
MPI_Allreduce(&nblocal,&natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
|
||||
if (natoms != atom->natoms) {
|
||||
if (natoms != atom->natoms && comm->me == 0) {
|
||||
char str[128];
|
||||
sprintf(str,"Lost atoms via displace_atoms: original " BIGINT_FORMAT
|
||||
" current " BIGINT_FORMAT,atom->natoms,natoms);
|
||||
error->all(FLERR,str);
|
||||
error->warning(FLERR,str);
|
||||
}
|
||||
}
|
||||
|
||||
|
|
|
@ -67,8 +67,8 @@ E: Use of displace_atoms with undefined lattice
|
|||
Must use lattice command with displace_atoms command if units option
|
||||
is set to lattice.
|
||||
|
||||
E: Lost atoms via displace_atoms: original %ld current %ld
|
||||
W: Lost atoms via displace_atoms: original %ld current %ld
|
||||
|
||||
UNDOCUMENTED
|
||||
The command options you have used caused atoms to be lost.
|
||||
|
||||
*/
|
||||
|
|
|
@ -170,9 +170,4 @@ E: Both sides of boundary must be periodic
|
|||
Cannot specify a boundary as periodic only on the lo or hi side. Must
|
||||
be periodic on both sides.
|
||||
|
||||
U: Triclinic box must be periodic in skewed dimensions
|
||||
|
||||
This is a requirement for using a non-orthogonal box. E.g. to set a
|
||||
non-zero xy tilt, both x and y must be periodic dimensions.
|
||||
|
||||
*/
|
||||
|
|
|
@ -50,11 +50,11 @@ class DumpCFG : public DumpCustom {
|
|||
|
||||
E: Dump cfg arguments must start with 'id type xs ys zs' or 'id type xsu ysu zsu'
|
||||
|
||||
This is a requirement of the CFG output format. :dd
|
||||
This is a requirement of the CFG output format.
|
||||
|
||||
E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Invalid keyword in dump cfg command
|
||||
|
||||
|
|
|
@ -81,11 +81,12 @@ class DumpImage : public DumpCustom {
|
|||
|
||||
E: Invalid dump image filename
|
||||
|
||||
UNDOCUMENTED
|
||||
The file produced by dump image cannot be binary and must
|
||||
be for a single processor.
|
||||
|
||||
E: Cannot dump JPG file
|
||||
|
||||
UNDOCUMENTED
|
||||
LAMMPS was not built with the -DLAMMPS_JPEG switch in the Makefile.
|
||||
|
||||
E: Illegal ... command
|
||||
|
||||
|
@ -95,102 +96,88 @@ command-line option when running LAMMPS to see the offending line.
|
|||
|
||||
E: Dump image bond not allowed with no bond types
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Invalid dump image theta value
|
||||
|
||||
UNDOCUMENTED
|
||||
Theta must be between 0.0 and 180.0 inclusive.
|
||||
|
||||
E: Dump image persp option is not yet supported
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Dump image requires one snapshot per file
|
||||
|
||||
UNDOCUMENTED
|
||||
Use a "*" in the filename.
|
||||
|
||||
E: Dump image cannot perform sorting
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Variable name for dump image theta does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Variable for dump image theta is invalid style
|
||||
|
||||
UNDOCUMENTED
|
||||
Must be an equal-style variable.
|
||||
|
||||
E: Variable name for dump image phi does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Variable for dump image phi is invalid style
|
||||
|
||||
UNDOCUMENTED
|
||||
Must be an equal-style variable.
|
||||
|
||||
E: Variable name for dump image center does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Variable for dump image center is invalid style
|
||||
|
||||
UNDOCUMENTED
|
||||
Must be an equal-style variable.
|
||||
|
||||
E: Variable name for dump image zoom does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Variable for dump image zoom is invalid style
|
||||
|
||||
UNDOCUMENTED
|
||||
Must be an equal-style variable.
|
||||
|
||||
E: Variable name for dump image persp does not exist
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Variable for dump image persp is invalid style
|
||||
|
||||
UNDOCUMENTED
|
||||
Must be an equal-style variable.
|
||||
|
||||
E: Invalid dump image element name
|
||||
|
||||
UNDOCUMENTED
|
||||
The specified element name was not in the standard list of elements.
|
||||
See the dump_modify doc page.
|
||||
|
||||
E: Invalid dump image zoom value
|
||||
|
||||
UNDOCUMENTED
|
||||
Zoom value must be > 0.0.
|
||||
|
||||
E: Invalid dump image persp value
|
||||
|
||||
UNDOCUMENTED
|
||||
Persp value must be >= 0.0.
|
||||
|
||||
E: Invalid color in dump_modify command
|
||||
|
||||
UNDOCUMENTED
|
||||
The specified color name was not in the list of recognized colors.
|
||||
See the dump_modify doc page.
|
||||
|
||||
E: Dump modify bcolor not allowed with no bond types
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Dump modify bdiam not allowed with no bond types
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Invalid dump image up vector
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Invalid dump image color range
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Illega dump_modify command
|
||||
|
||||
UNDOCUMENTED
|
||||
|
||||
U: Invalid color map in dump_modify command
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -86,15 +86,15 @@ Self-explanatory.
|
|||
|
||||
E: Fix ave/correlate compute does not calculate a scalar
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix ave/correlate compute does not calculate a vector
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix ave/correlate compute vector is accessed out-of-range
|
||||
|
||||
UNDOCUMENTED
|
||||
The index for the vector is out of bounds.
|
||||
|
||||
E: Fix ID for fix ave/correlate does not exist
|
||||
|
||||
|
@ -102,15 +102,15 @@ Self-explanatory.
|
|||
|
||||
E: Fix ave/correlate fix does not calculate a scalar
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix ave/correlate fix does not calculate a vector
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix ave/correlate fix vector is accessed out-of-range
|
||||
|
||||
UNDOCUMENTED
|
||||
The index for the vector is out of bounds.
|
||||
|
||||
E: Fix for fix ave/correlate not computed at compatible time
|
||||
|
||||
|
@ -123,6 +123,6 @@ Self-explanatory.
|
|||
|
||||
E: Fix ave/correlate variable is not equal-style variable
|
||||
|
||||
UNDOCUMENTED
|
||||
Self-explanatory.
|
||||
|
||||
*/
|
||||
|
|
|
@ -94,13 +94,11 @@ Self-explantory.
|
|||
|
||||
E: Fix ave/time compute does not calculate a scalar
|
||||
|
||||
Only computes that calculate a scalar or vector quantity (not a
|
||||
per-atom quantity) can be used with fix ave/time.
|
||||
Self-explantory.
|
||||
|
||||
E: Fix ave/time compute does not calculate a vector
|
||||
|
||||
Only computes that calculate a scalar or vector quantity (not a
|
||||
per-atom quantity) can be used with fix ave/time.
|
||||
Self-explantory.
|
||||
|
||||
E: Fix ave/time compute vector is accessed out-of-range
|
||||
|
||||
|
@ -112,15 +110,15 @@ Self-explanatory.
|
|||
|
||||
E: Fix ave/time compute array is accessed out-of-range
|
||||
|
||||
Self-explanatory.
|
||||
An index for the array is out of bounds.
|
||||
|
||||
E: Fix ave/time fix does not calculate a scalar
|
||||
|
||||
A fix used by fix ave/time must generate global values.
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix ave/time fix does not calculate a vector
|
||||
|
||||
A fix used by fix ave/time must generate global values.
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix ave/time fix vector is accessed out-of-range
|
||||
|
||||
|
@ -137,7 +135,7 @@ Self-explanatory.
|
|||
|
||||
E: Fix ave/time fix array is accessed out-of-range
|
||||
|
||||
Self-explanatory.
|
||||
An index for the array is out of bounds.
|
||||
|
||||
E: Variable name for fix ave/time does not exist
|
||||
|
||||
|
@ -145,7 +143,7 @@ Self-explanatory.
|
|||
|
||||
E: Fix ave/time variable is not equal-style variable
|
||||
|
||||
A variable used by fix ave/time must generate a global value.
|
||||
Self-explanatory.
|
||||
|
||||
E: Fix ave/time cannot use variable with vector mode
|
||||
|
||||
|
|
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Reference in New Issue