jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10197 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-06-29 21:20:54 +00:00
parent d694b0dee0
commit ce91adefc1
22 changed files with 297 additions and 107 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

18
src/DIPOLE/pair_lj_cut_dipole_long.h
View File

@ -65,20 +65,24 @@ E: Incorrect args in pair_style command
Self-explanatory.
E: Cannot (yet) use 'electron' units with dipoles
This feature is not yet supported.
E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: Pair dipole/cut requires atom attributes q, mu, torque
E: Pair dipole/long requires atom attributes q, mu, torque
The atom style defined does not have these attributes.
UNDOCUMENTED
E: Cannot (yet) use 'electron' units with dipoles
This feature is not yet supported.
E: Pair style requires a KSpace style
No kspace style is defined.
*/
U: Pair dipole/cut requires atom attributes q, mu, torque
The atom style defined does not have these attributes.
*/

26
src/DIPOLE/pair_lj_long_dipole_long.cpp
View File

@ -59,22 +59,15 @@ PairLJLongDipoleLong::PairLJLongDipoleLong(LAMMPS *lmp) : Pair(lmp)
// global settings
// ----------------------------------------------------------------------
#define PAIR_ILLEGAL "Illegal pair_style lj/long/dipole/long command"
#define PAIR_CUTOFF "Only one cut-off allowed when requesting all long"
#define PAIR_MISSING "Cut-offs missing in pair_style lj/long/dipole/long"
#define PAIR_COUL_CUT "Coulombic cut not supported in pair_style lj/long/dipole/long"
#define PAIR_LARGEST "Using largest cut-off for lj/long/dipole/long long long"
#define PAIR_MIX "Geometric mixing assumed for 1/r^6 coefficients"
void PairLJLongDipoleLong::options(char **arg, int order)
{
const char *option[] = {"long", "cut", "off", NULL};
int i;
if (!*arg) error->all(FLERR,PAIR_ILLEGAL);
if (!*arg) error->all(FLERR,"Illegal pair_style lj/long/dipole/long command");
for (i=0; option[i]&&strcmp(arg[0], option[i]); ++i);
switch (i) {
default: error->all(FLERR,PAIR_ILLEGAL);
default: error->all(FLERR,"Illegal pair_style lj/long/dipole/long command");
case 0: ewald_order |= 1<<order; break; // set kspace r^-order
case 2: ewald_off |= 1<<order; // turn r^-order off
case 1: break;
@ -91,16 +84,18 @@ void PairLJLongDipoleLong::settings(int narg, char **arg)
options(++arg, 3);
options(arg, 1);
if (!comm->me && ewald_order&(1<<6))
error->warning(FLERR,PAIR_MIX);
error->warning(FLERR,"Geometric mixing assumed for 1/r^6 coefficients");
if (!comm->me && ewald_order==((1<<3)|(1<<6)))
error->warning(FLERR,PAIR_LARGEST);
error->warning(FLERR,
"Using largest cut-off for lj/long/dipole/long long long");
if (!*(++arg))
error->all(FLERR,PAIR_MISSING);
error->all(FLERR,"Cut-offs missing in pair_style lj/long/dipole/long");
if (!((ewald_order^ewald_off)&(1<<3)))
error->all(FLERR,PAIR_COUL_CUT);
error->all(FLERR,
"Coulombic cut not supported in pair_style lj/long/dipole/long");
cut_lj_global = force->numeric(FLERR,*(arg++));
if (narg == 4 && (ewald_order==74))
error->all(FLERR,PAIR_CUTOFF);
error->all(FLERR,"Only one cut-off allowed when requesting all long");
if (narg == 4) cut_coul = force->numeric(FLERR,*(arg++));
else cut_coul = cut_lj_global;
@ -194,7 +189,8 @@ void *PairLJLongDipoleLong::extract(const char *id, int &dim)
void PairLJLongDipoleLong::coeff(int narg, char **arg)
{
if (narg < 4 || narg > 5) error->all(FLERR,"Incorrect args for pair coefficients");
if (narg < 4 || narg > 5)
error->all(FLERR,"Incorrect args for pair coefficients");
if (!allocated) allocate();
int ilo,ihi,jlo,jhi;

33
src/DIPOLE/pair_lj_long_dipole_long.h
View File

@ -74,21 +74,21 @@ W: Geometric mixing assumed for 1/r^6 coefficients
Self-explanatory.
W: Using largest cutoff for lj/long/dipole/long
W: Using largest cut-off for lj/long/dipole/long long long
Self-exlanatory.
UNDOCUMENTED
E: Cutoffs missing in pair_style lj/long/dipole/long
E: Cut-offs missing in pair_style lj/long/dipole/long
Self-exlanatory.
UNDOCUMENTED
E: Coulombic cut not supported in pair_style lj/long/dipole/long
Must use long-range Coulombic interactions.
E: Only one cutoff allowed when requesting all long
E: Only one cut-off allowed when requesting all long
Self-explanatory.
UNDOCUMENTED
E: Incorrect args for pair coefficients
@ -108,10 +108,27 @@ The atom style defined does not have these attributes.
E: Pair style is incompatible with KSpace style
Self-explanatory.
If a pair style with a long-range Coulombic component is selected,
then a kspace style must also be used.
E: Pair style lj/long/dipole/long does not currently support respa
This feature is not yet supported.
*/
E: Pair cutoff < Respa interior cutoff
UNDOCUMENTED
U: Using largest cutoff for lj/long/dipole/long
Self-exlanatory.
U: Cutoffs missing in pair_style lj/long/dipole/long
Self-exlanatory.
U: Only one cutoff allowed when requesting all long
Self-explanatory.
*/

8
src/GPU/pair_gayberne_gpu.h
View File

@ -49,15 +49,15 @@ class PairGayBerneGPU : public PairGayBerne {
/* ERROR/WARNING messages:
E: Pair gayberne/gpu requires atom style ellipsoid
Self-explanatory.
E: Insufficient memory on accelerator
There is insufficient memory on one of the devices specified for the gpu
package
E: Pair gayberne/gpu requires atom style ellipsoid
Self-explanatory.
E: Cannot use newton pair with gayberne/gpu pair style
Self-explanatory.

4
src/GRANULAR/fix_pour.h
View File

@ -90,6 +90,10 @@ E: Fix pour region ID does not exist
Self-explanatory.
E: Fix pour polydisperse fractions do not sum to 1.0
UNDOCUMENTED
E: Must specify a region in fix pour
The region keyword must be specified with this fix.

10
src/KSPACE/ewald_disp.h
View File

@ -145,11 +145,6 @@ 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 too large to estimate G vector
Reduce the accuracy request or specify gwald explicitly
via the kspace_modify command.
W: Ewald/disp Newton solver failed, using old method to estimate g_ewald
Self-explanatory. Choosing a different cutoff value may help.
@ -162,4 +157,9 @@ E: Epsilon or sigma reference not set by pair style in ewald/n
The pair style is not providing the needed epsilon or sigma values.
U: KSpace accuracy too large to estimate G vector
Reduce the accuracy request or specify gwald explicitly
via the kspace_modify command.
*/

10
src/KSPACE/msm.h
View File

@ -192,6 +192,11 @@ E: KSpace accuracy must be > 0
The kspace accuracy designated in the input must be greater than zero.
W: Adjusting Coulombic cutoff for MSM, new cutoff = %g
The adjust/cutoff command is turned on and the Coulombic cutoff has been
adjusted to match the user-specified accuracy.
W: Number of MSM mesh points increased to be a multiple of 2
MSM requires that the number of grid points in each direction be a multiple
@ -206,11 +211,6 @@ W: MSM mesh too small, increasing to 2 points in each direction
Self-explanatory.
W: Adjusting Coulombic cutoff for MSM, new cutoff = %g
The adjust/cutoff command is turned on and the Coulombic cutoff has been
adjusted to match the user-specified accuracy.
E: MSM grid is too large
The global MSM grid is larger than OFFSET in one or more dimensions.

3
src/KSPACE/pair_lj_long_coul_long.cpp
View File

@ -91,7 +91,8 @@ void PairLJLongCoulLong::settings(int narg, char **arg)
if (!*(++arg))
error->all(FLERR,"Cutoffs missing in pair_style lj/long/coul/long");
if (!((ewald_order^ewald_off) & (1<<1)))
error->all(FLERR,"Coulomb cut not supported in pair_style lj/long/coul/long");
error->all(FLERR,
"Coulomb cut not supported in pair_style lj/long/coul/long");
cut_lj_global = force->numeric(FLERR,*(arg++));
if (narg == 4 && ((ewald_order & 0x42) == 0x42))
error->all(FLERR,"Only one cutoff allowed when requesting all long");

24
src/KSPACE/pair_lj_long_coul_long.h
View File

@ -77,13 +77,13 @@ 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: Mixing forced for LJ coefficients
W: Mixing forced for lj coefficients
Self-explanatory.
UNDOCUMENTED
W: Using largest cutoff for pair_style lj/long/coul/long
W: Using largest cutoff for lj/long/coul/long
Self-explanatory.
UNDOCUMENTED
E: Cutoffs missing in pair_style lj/long/coul/long
@ -101,9 +101,9 @@ E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
E: Pair style lj/long/coul/long requires atom attribute q
E: Invoking coulombic in pair style lj/coul requires atom attribute q
The atom style defined does not have this attribute.
UNDOCUMENTED
E: Pair style requires a KSpace style
@ -114,4 +114,16 @@ E: Pair cutoff < Respa interior cutoff
One or more pairwise cutoffs are too short to use with the specified
rRESPA cutoffs.
U: Mixing forced for LJ coefficients
Self-explanatory.
U: Using largest cutoff for pair_style lj/long/coul/long
Self-explanatory.
U: Pair style lj/long/coul/long requires atom attribute q
The atom style defined does not have this attribute.
*/

6
src/KSPACE/pppm.cpp
View File

@ -177,7 +177,7 @@ void PPPM::init()
triclinic_check();
if (domain->triclinic && differentiation_flag == 1)
error->all(FLERR,"Cannot (yet) use PPPM with triclinic box "
"and kspace_modify diff a'");
"and kspace_modify diff ad");
if (domain->triclinic && slabflag)
error->all(FLERR,"Cannot (yet) use PPPM with triclinic box and "
"slab correction");
@ -3061,8 +3061,8 @@ void PPPM::compute_group_group(int groupbit_A, int groupbit_B, int BA_flag)
"correction with compute group/group");
if (differentiation_flag)
error->all(FLERR,"Cannot (yet) use 'kspace_modify "
"diff ad' with compute group/group");
error->all(FLERR,"Cannot (yet) use kspace_modify "
"diff ad with compute group/group");
if (!group_allocate_flag) allocate_groups();

4
src/KSPACE/pppm.h
View File

@ -209,7 +209,7 @@ 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 (yet) use PPPM with triclinic box and 'kspace_modify diff ad'
E: Cannot (yet) use PPPM with triclinic box and kspace_modify diff ad
This feature is not yet supported.
@ -328,7 +328,7 @@ E: Cannot (yet) use K-space slab correction with compute group/group
This option is not yet supported.
E: Cannot (yet) use 'kspace_modify diff ad' with compute group/group
E: Cannot (yet) use kspace_modify diff ad with compute group/group
This option is not yet supported.

80
src/KSPACE/pppm_disp.h
View File

@ -348,10 +348,6 @@ 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 (yet) use PPPMDisp with triclinic box
UNDOCUMENTED
E: Cannot use PPPMDisp with 2d simulation
UNDOCUMENTED
@ -371,7 +367,7 @@ UNDOCUMENTED
E: KSpace style is incompatible with Pair style
Setting a kspace style requires that a pair style with a long-range
Coulombic and Dispersion component be selected.
Coulombic or dispersion component be used.
E: Unsupported mixing rule in kspace_style pppm/disp for pair_style %s
@ -398,7 +394,7 @@ 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 Ewald or PPPM coulombic solvers.
is not valid for the long-range Coulombic solvers.
E: Bond and angle potentials must be defined for TIP4P
@ -413,7 +409,7 @@ E: Bad TIP4P bond type for PPPMDisp/TIP4P
UNDOCUMENTED
W: Reducing PPPMDisp Coulomb order b/c stencil extends beyond neighbor processor.
W: Reducing PPPMDisp Coulomb order b/c stencil extends beyond neighbor processor
UNDOCUMENTED
@ -425,7 +421,7 @@ E: Coulomb PPPMDisp order has been reduced below minorder
UNDOCUMENTED
W: Reducing PPPMDisp Dispersion order b/c stencil extends beyond neighbor processor
W: Reducing PPPMDisp dispersion order b/c stencil extends beyond neighbor processor
UNDOCUMENTED
@ -439,7 +435,7 @@ UNDOCUMENTED
E: PPPM grid stencil extends beyond nearest neighbor processor
UNDOCUMENTED
This is not allowed if the kspace_modify overlap setting is no.
E: epsilon or sigma reference not set by pair style in PPPMDisp
@ -447,7 +443,8 @@ UNDOCUMENTED
E: KSpace accuracy too large to estimate G vector
UNDOCUMENTED
Reduce the accuracy request or specify gwald explicitly
via the kspace_modify command.
E: Could not compute grid size for Coulomb interaction!
@ -455,7 +452,9 @@ UNDOCUMENTED
E: Could not compute g_ewald
UNDOCUMENTED
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: Could not adjust g_ewald_6
@ -475,6 +474,27 @@ E: Out of range atoms - cannot compute PPPMDisp
UNDOCUMENTED
U: Cannot (yet) use PPPMDisp with triclinic box
UNDOCUMENTED
U: Reducing PPPMDisp Coulomb order b/c stencil extends beyond neighbor processor.
UNDOCUMENTED
U: Reducing PPPMDisp dispersion order b/c stencil extends beyond
neighbor processor
UNDOCUMENTED
U: PPPMDisp dispersion grid is too large
UNDOCUMENTED
U: Could not compute grid size for dispersion
UNDOCUMENTED
U: Cannot (yet) use PPPM_disp with triclinic box
This feature is not yet supported.
@ -529,42 +549,42 @@ U: Reducing PPPM_disp Coulomb order b/c stencil extends beyond neighbor processo
LAMMPS is attempting this in order to allow the simulation
to run. It should not effect the PPPM_disp accuracy.
U: Reducing PPPM_disp Dispersion order b/c stencil extends beyond neighbor processor
U: Reducing PPPM_disp dispersion order b/c stencil extends beyond neighbor processor
LAMMPS is attempting this in order to allow the simulation
to run. It should not effect the PPPM_disp accuracy.
U: PPPM_disp Coulomb grid is too large
The global PPPM_disp grid for Coulomb interactions is larger than OFFSET in one or more dimensions.
OFFSET is currently set to 16384. You likely need to decrease the
requested precision.
The global PPPM_disp grid for Coulomb interactions is larger than
OFFSET in one or more dimensions. OFFSET is currently set to 16384.
You likely need to decrease the requested precision.
U: PPPM_grid Dispersion grid is too large
U: PPPM_grid dispersion grid is too large
One of the PPPM_disp grids for Dispersion interactions is larger than OFFSET in one or more dimensions.
OFFSET is currently set to 16384. You likely need to decrease the
requested precision.
One of the PPPM_disp grids for dispersion interactions is larger than
OFFSET in one or more dimensions. OFFSET is currently set to 16384.
You likely need to decrease the requested precision.
U: Coulomb PPPM_disp order has been reduced to 0
LAMMPS has attempted to reduce the PPPM_disp coulomb order to enable the simulation
to run, but can reduce the order no further. Try increasing the
accuracy of PPPM_disp coulomb by reducing the tolerance size, thus inducing a
larger PPPM_disp coulomb grid.
LAMMPS has attempted to reduce the PPPM_disp coulomb order to enable
the simulation to run, but can reduce the order no further. Try
increasing the accuracy of PPPM_disp coulomb by reducing the tolerance
size, thus inducing a larger PPPM_disp coulomb grid.
U: Dispersion PPPM_disp order has been reduced to 0
LAMMPS has attempted to reduce the PPPM_disp dispersion order to enable the simulation
to run, but can reduce the order no further. Try increasing the
accuracy of PPPM_disp dispersion by reducing the tolerance size, thus inducing a
larger PPPM_disp dispersion grid.
LAMMPS has attempted to reduce the PPPM_disp dispersion order to
enable the simulation to run, but can reduce the order no further.
Try increasing the accuracy of PPPM_disp dispersion by reducing the
tolerance size, thus inducing a larger PPPM_disp dispersion grid.
U: Cannot compute PPPM_disp g_ewald
LAMMPS failed to compute a valid approximation for the PPPM_disp g_ewald
factor that partitions the computation between real space and k-space
for Coulomb interactions.
LAMMPS failed to compute a valid approximation for the PPPM_disp
g_ewald factor that partitions the computation between real space and
k-space for Coulomb interactions.
U: Cannot compute final g_ewald_disp

76
src/KSPACE/pppm_old.h
View File

@ -167,4 +167,80 @@ class PPPMOld : public KSpace {
/* ERROR/WARNING messages:
E: Illegal ... command
UNDOCUMENTED
E: Cannot use PPPM with 2d simulation
UNDOCUMENTED
E: Kspace style requires atom attribute q
UNDOCUMENTED
E: Cannot use nonperiodic boundaries with PPPM
UNDOCUMENTED
E: Incorrect boundaries with slab PPPM
UNDOCUMENTED
E: PPPM order cannot be < 2 or > than %d
UNDOCUMENTED
E: KSpace style is incompatible with Pair style
UNDOCUMENTED
E: Bond and angle potentials must be defined for TIP4P
UNDOCUMENTED
E: Bad TIP4P angle type for PPPM/TIP4P
UNDOCUMENTED
E: Bad TIP4P bond type for PPPM/TIP4P
UNDOCUMENTED
E: Cannot use kspace solver on system with no charge
UNDOCUMENTED
W: System is not charge neutral, net charge = %g
UNDOCUMENTED
W: Reducing PPPM order b/c stencil extends beyond neighbor processor
UNDOCUMENTED
E: PPPM grid is too large
UNDOCUMENTED
E: PPPM order has been reduced to 0
UNDOCUMENTED
E: KSpace accuracy must be > 0
UNDOCUMENTED
E: Cannot compute PPPM G
UNDOCUMENTED
E: Out of range atoms - cannot compute PPPM
UNDOCUMENTED
E: Cannot (yet) use K-space slab correction with compute group/group
UNDOCUMENTED
*/

44
src/MOLECULE/pair_lj_cut_tip4p_cut.h
View File

@ -64,3 +64,47 @@ class PairLJCutTIP4PCut : public Pair {
#endif
#endif
/* ERROR/WARNING messages:
E: TIP4P hydrogen is missing
UNDOCUMENTED
E: TIP4P hydrogen has incorrect atom type
UNDOCUMENTED
E: Illegal ... command
UNDOCUMENTED
E: Incorrect args for pair coefficients
UNDOCUMENTED
E: Pair style lj/cut/coul/cut/tip4p requires atom IDs
UNDOCUMENTED
E: Pair style lj/cut/coul/cut/tip4p requires newton pair on
UNDOCUMENTED
E: Pair style lj/cut/coul/cut/tip4p requires atom attribute q
UNDOCUMENTED
E: Must use a bond style with TIP4P potential
UNDOCUMENTED
E: Must use an angle style with TIP4P potential
UNDOCUMENTED
E: Water H epsilon must be 0.0 for pair style lj/cut/coul/long/tip4p
UNDOCUMENTED
*/

8
src/PERI/pair_peri_lps.h
View File

@ -90,10 +90,6 @@ E: Pair peri requires an atom map, see atom_modify
Even for atomic systems, an atom map is required to find Peridynamic
bonds. Use the atom_modify command to define one.
E: Pair peri requires a lattice be defined
Use the lattice command for this purpose.
E: Pair peri lattice is not identical in x, y, and z
The lattice defined by the lattice command must be cubic.
@ -107,4 +103,8 @@ E: Divide by 0 in influence function of pair peri/lps
This should not normally occur. It is likely a problem with your
model.
U: Pair peri requires a lattice be defined
Use the lattice command for this purpose.
*/

8
src/PERI/pair_peri_pmb.h
View File

@ -83,10 +83,6 @@ E: Pair peri requires an atom map, see atom_modify
Even for atomic systems, an atom map is required to find Peridynamic
bonds. Use the atom_modify command to define one.
E: Pair peri requires a lattice be defined
Use the lattice command for this purpose.
E: Pair peri lattice is not identical in x, y, and z
The lattice defined by the lattice command must be cubic.
@ -95,4 +91,8 @@ E: Fix peri neigh does not exist
Somehow a fix that the pair style defines has been deleted.
U: Pair peri requires a lattice be defined
Use the lattice command for this purpose.
*/

4
src/RIGID/fix_rigid.h
View File

@ -195,6 +195,10 @@ 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
UNDOCUMENTED
W: Computing temperature of portions of rigid bodies
The group defined by the temperature compute does not encompass all

4
src/RIGID/fix_rigid_small.h
View File

@ -204,6 +204,10 @@ 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
UNDOCUMENTED
W: Computing temperature of portions of rigid bodies
The group defined by the temperature compute does not encompass all

12
src/SHOCK/fix_append_atoms.h
View File

@ -82,6 +82,10 @@ E: Bad fix ID in fix append/atoms command
The value of the fix_id for keyword spatial must start with the suffix
f_.
E: Invalid basis setting in fix append/atoms command
UNDOCUMENTED
E: Cannot use append/atoms in periodic dimension
The boundary style of the face where atoms are added can not be of
@ -92,12 +96,12 @@ E: Cannot append atoms to a triclinic box
The simulation box must be defined with edges alligned with the
Cartesian axes.
E: Use of fix append/atoms with undefined lattice
A lattice must be defined before using this fix.
E: Fix ID for fix ave/spatial does not exist
Self-explanatory.
U: Use of fix append/atoms with undefined lattice
A lattice must be defined before using this fix.
*/

8
src/SHOCK/fix_wall_piston.h
View File

@ -70,12 +70,12 @@ E: Cannot use wall in periodic dimension
Self-explanatory.
E: Use of fix wall/piston with undefined lattice
A lattice must be defined before using this fix.
E: NL ramp in wall/piston only implemented in zlo for now
The ramp keyword can only be used for piston applied to face zlo.
U: Use of fix wall/piston with undefined lattice
A lattice must be defined before using this fix.
*/

4
src/SRD/fix_srd.h
View File

@ -340,6 +340,10 @@ 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.
W: SRD particle %d started inside big particle %d on step %ld bounce %d
UNDOCUMENTED
E: Bad quadratic solve for particle/line collision
This is an internal error. It should nornally not occur.

10
src/SRD/fix_wall_srd.h
View File

@ -78,11 +78,6 @@ E: Cannot use fix wall/srd zlo/zhi for a 2d simulation
Self-explanatory.
E: Use of fix wall with undefined lattice
Must use lattice command with fix wall command if units option is set
to lattice.
E: Cannot use fix wall/srd without fix srd
Self-explanatory.
@ -95,4 +90,9 @@ E: Variable for fix wall/srd is invalid style
Only equal-style variables can be used.
U: Use of fix wall with undefined lattice
Must use lattice command with fix wall command if units option is set
to lattice.
*/