ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7892 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2012-03-02 17:05:31 +00:00
parent 4ba21107a1
commit 21133ad922
2 changed files with 106 additions and 102 deletions
Download Patch File Download Diff File Expand all files Collapse all files

104
doc/Section_errors.html
View File

@ -183,13 +183,11 @@ the bond topologies you have defined.
<DD>See description of this data type in src/lmptype.h. <DD>See description of this data type in src/lmptype.h.
<DT><I>Accelerated style in input script but no fix gpu</I>
<DD>UNDOCUMENTED
<DT><I>Accelerator sharing is not currently supported on system</I> <DT><I>Accelerator sharing is not currently supported on system</I>
<DD>UNDOCUMENTED <DD>Multiple MPI processes cannot share the accelerator on your
system. For NVIDIA GPUs, see the nvidia-smi command to change this
setting.
<DT><I>All angle coeffs are not set</I> <DT><I>All angle coeffs are not set</I>
@ -794,7 +792,8 @@ will assign the restart file info to actual atoms.
<DT><I>Cannot do GCMC on atoms in atom_modify first group</I> <DT><I>Cannot do GCMC on atoms in atom_modify first group</I>
<DD>UNDOCUMENTED <DD>This is a restriction due to the way atoms are organized in a list to
enable the atom_modify first command.
<DT><I>Cannot dump JPG file</I> <DT><I>Cannot dump JPG file</I>
@ -1438,14 +1437,6 @@ neighbor cutoff. Use the "nsq" style instead of "bin" style.
<DD>Self-explanatory. <DD>Self-explanatory.
<DT><I>Cannot use newton pair with lj/sdk/coul/long/gpu pair style</I>
<DD>Self-explanatory.
<DT><I>Cannot use newton pair with lj/sdk/gpu pair style</I>
<DD>Self-explanatory.
<DT><I>Cannot use newton pair with lj96/cut/gpu pair style</I> <DT><I>Cannot use newton pair with lj96/cut/gpu pair style</I>
<DD>Self-explanatory. <DD>Self-explanatory.
@ -2198,7 +2189,8 @@ does not exist.
<DT><I>Could not find/initialize a specified accelerator device</I> <DT><I>Could not find/initialize a specified accelerator device</I>
<DD>UNDOCUMENTED <DD>Could not initialize at least one of the devices specified for the gpu
package
<DT><I>Could not grab element entry from EIM potential file</I> <DT><I>Could not grab element entry from EIM potential file</I>
@ -2410,7 +2402,7 @@ simulation box to a great distance.
<DT><I>Double precision is not supported on this accelerator</I> <DT><I>Double precision is not supported on this accelerator</I>
<DD>UNDOCUMENTED <DD>Self-explanatory
<DT><I>Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu</I> <DT><I>Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu</I>
@ -2669,15 +2661,18 @@ smaller simulation or on more processors.
<DT><I>Fix GCMC incompatible with given pair_style</I> <DT><I>Fix GCMC incompatible with given pair_style</I>
<DD>UNDOCUMENTED <DD>Some pair_styles do not provide single-atom energies, which are needed
by fix GCMC.
<DT><I>Fix GCMC molecule command requires atom attribute molecule</I> <DT><I>Fix GCMC molecule command requires atom attribute molecule</I>
<DD>UNDOCUMENTED <DD>Should not choose the GCMC molecule feature if no molecules are being
simulated. The general molecule flag is off, but GCMC's molecule flag
is on.
<DT><I>Fix GCMC molecule feature does not yet work</I> <DT><I>Fix GCMC molecule feature does not yet work</I>
<DD>UNDOCUMENTED <DD>Fix GCMC cannot (yet) be used to exchange molecules, only atoms.
<DT><I>Fix GPU split must be positive for hybrid pair styles</I> <DT><I>Fix GPU split must be positive for hybrid pair styles</I>
@ -3053,6 +3048,14 @@ all intensive/extensive when turned into an array by fix ave/time.
<DD>Self-explanatory. <DD>Self-explanatory.
<DT><I>Fix balance string is invalid</I>
<DD>The string can only contain the characters "x", "y", or "z".
<DT><I>Fix balance string is invalid for 2d simulation</I>
<DD>The string cannot contain the letter "z".
<DT><I>Fix bond/break requires special_bonds = 0,1,1</I> <DT><I>Fix bond/break requires special_bonds = 0,1,1</I>
<DD>This is a restriction of the current fix bond/break implementation. <DD>This is a restriction of the current fix bond/break implementation.
@ -3606,11 +3609,12 @@ non-hydrostatic pressure control can not be used in this case.
<DT><I>GPU library not compiled for this accelerator</I> <DT><I>GPU library not compiled for this accelerator</I>
<DD>UNDOCUMENTED <DD>Self-explanatory.
<DT><I>GPU particle split must be set to 1 for this pair style.</I> <DT><I>GPU particle split must be set to 1 for this pair style.</I>
<DD>UNDOCUMENTED <DD>For this pair style, you cannot run part of the force calculation on
the host. See the package command.
<DT><I>Gmask function in equal-style variable formula</I> <DT><I>Gmask function in equal-style variable formula</I>
@ -3887,6 +3891,10 @@ map command will force an atom map to be created.
<DD>Self-explantory. <DD>Self-explantory.
<DT><I>Input line quote not followed by whitespace</I>
<DD>An end quote must be followed by whitespace.
<DT><I>Input line too long after variable substitution</I> <DT><I>Input line too long after variable substitution</I>
<DD>This is a hard (very large) limit defined in the input.cpp file. <DD>This is a hard (very large) limit defined in the input.cpp file.
@ -3915,7 +3923,8 @@ should not happen if it is a reasonably shaped triangle.
<DT><I>Insufficient memory on accelerator</I> <DT><I>Insufficient memory on accelerator</I>
<DD>UNDOCUMENTED <DD>There is insufficient memory on one of the devices specified for the gpu
package
<DT><I>Invalid -reorder N value</I> <DT><I>Invalid -reorder N value</I>
@ -4000,7 +4009,7 @@ An invalid type is being requested.
<DT><I>Invalid atom type in fix GCMC command</I> <DT><I>Invalid atom type in fix GCMC command</I>
<DD>UNDOCUMENTED <DD>The atom type specified in the GCMC command does not exist.
<DT><I>Invalid atom type in fix bond/create command</I> <DT><I>Invalid atom type in fix bond/create command</I>
@ -4593,17 +4602,18 @@ compute per-atom quantities with an undefined pair style.
<DT><I>KIM initialization failed</I> <DT><I>KIM initialization failed</I>
<DD>This is an error return from the KIM library. <DD>This is an error generated by the KIM library.
<DT><I>KIM neighbor iterator exceeded range</I> <DT><I>KIM neighbor iterator exceeded range</I>
<DD>This error should not normally occur if the KIM library is working <DD>This should not happen. It likely indicates a bug
correctly. in the KIM implementation of the interatomic potential
where it is requesting neighbors incorrectly.
<DT><I>KIM_DIR environement variable is unset</I> <DT><I>KIM_DIR environment variable is unset</I>
<DD>The KIM library requires that this environment variable be set before <DD>This environment variable must be set to use pair_style kim.
running LAMMPS> See the doc page for pair_style kim.
<DT><I>KSpace style has not yet been set</I> <DT><I>KSpace style has not yet been set</I>
@ -5138,10 +5148,6 @@ requested elements.
<DD>Swap frequency in temper command must evenly divide the total # of <DD>Swap frequency in temper command must evenly divide the total # of
timesteps. timesteps.
<DT><I>Not allocate memory eam/gpu pair style</I>
<DD>UNDOCUMENTED
<DT><I>Nprocs not a multiple of N for -reorder</I> <DT><I>Nprocs not a multiple of N for -reorder</I>
<DD>Self-explanatory. <DD>Self-explanatory.
@ -5166,11 +5172,6 @@ atoms.
<DD>Self-explanatory. <DD>Self-explanatory.
<DT><I>Out of memory on GPGPU</I>
<DD>GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs.
<DT><I>Out of range atoms - cannot compute PPPM</I> <DT><I>Out of range atoms - cannot compute PPPM</I>
<DD>One or more atoms are attempting to map their charge to a PPPM grid <DD>One or more atoms are attempting to map their charge to a PPPM grid
@ -5204,7 +5205,7 @@ else the fix contribution to the pressure virial is incorrect.
<DD>The global PPPM grid is larger than OFFSET in one or more dimensions. <DD>The global PPPM grid is larger than OFFSET in one or more dimensions.
OFFSET is currently set to 4096. You likely need to decrease the OFFSET is currently set to 4096. You likely need to decrease the
requested precision. requested accuracy.
<DT><I>PPPM order cannot be greater than %d</I> <DT><I>PPPM order cannot be greater than %d</I>
@ -5230,10 +5231,10 @@ read_restart, or create_box command.
<DD>Self-explanatory. <DD>Self-explanatory.
<DT><I>PWD environement variable is unset</I> <DT><I>PWD environment variable is unset</I>
<DD>The KIM library requires that this environment variable be set before <DD>This environment variable must be set to use pair_style kim.
running LAMMPS> See the doc page for pair_style kim.
<DT><I>Package command after simulation box is defined</I> <DT><I>Package command after simulation box is defined</I>
@ -5589,7 +5590,7 @@ then a kspace style must also be used.
<DT><I>Pair style kim requires newton pair off</I> <DT><I>Pair style kim requires newton pair off</I>
<DD>Self-explanatory. <DD>This is a current restriction of the KIM library.
<DT><I>Pair style lj/charmm/coul/charmm requires atom attribute q</I> <DT><I>Pair style lj/charmm/coul/charmm requires atom attribute q</I>
@ -5649,10 +5650,6 @@ molecule adds forces to atoms owned by other processors.
<DD>An atom_style with this attribute is needed. <DD>An atom_style with this attribute is needed.
<DT><I>Pair style lj/sdk/coul/long/gpu requires atom attribute q</I>
<DD>The atom style defined does not have this attribute.
<DT><I>Pair style peri requires atom style peri</I> <DT><I>Pair style peri requires atom style peri</I>
<DD>Self-explanatory. <DD>Self-explanatory.
@ -6296,7 +6293,7 @@ temperature (nvt or langevin).
<DT><I>The package gpu command is required for gpu styles</I> <DT><I>The package gpu command is required for gpu styles</I>
<DD>UNDOCUMENTED <DD>Self-explanatory.
<DT><I>Thermo and fix not computed at compatible times</I> <DT><I>Thermo and fix not computed at compatible times</I>
@ -6555,9 +6552,13 @@ length in that dimension. E.g. the xy tilt must be between -half and
<DD>CUDA mode is enabled, so the run style must include a cuda suffix. <DD>CUDA mode is enabled, so the run style must include a cuda suffix.
<DT><I>USER-CUDA package requires a cuda enabled atom_style</I>
<DD>Self-explanatory.
<DT><I>Unable to initialize accelerator for use</I> <DT><I>Unable to initialize accelerator for use</I>
<DD>UNDOCUMENTED <DD>There was a problem initializing an accelerator for the gpu package
<DT><I>Unbalanced quotes in input line</I> <DT><I>Unbalanced quotes in input line</I>
@ -6593,7 +6594,7 @@ number of processor partitions.
<DT><I>Unknown error in GPU library</I> <DT><I>Unknown error in GPU library</I>
<DD>UNDOCUMENTED <DD>Self-explanatory.
<DT><I>Unknown identifier in data file: %s</I> <DT><I>Unknown identifier in data file: %s</I>
@ -7084,7 +7085,8 @@ will be truncated to attempt to prevent the bond from blowing up.
<DT><I>Fix GCMC may delete atom with non-zero molecule ID</I> <DT><I>Fix GCMC may delete atom with non-zero molecule ID</I>
<DD>UNDOCUMENTED <DD>This is probably an error, since you should not delete only one atom
of a molecule. The GCMC molecule exchange feature does not yet work.
<DT><I>Fix SRD walls overlap but fix srd overlap not set</I> <DT><I>Fix SRD walls overlap but fix srd overlap not set</I>

104
doc/Section_errors.txt
View File

@ -179,13 +179,11 @@ the bond topologies you have defined. :dd
See description of this data type in src/lmptype.h. :dd See description of this data type in src/lmptype.h. :dd
{Accelerated style in input script but no fix gpu} :dt
UNDOCUMENTED :dd
{Accelerator sharing is not currently supported on system} :dt {Accelerator sharing is not currently supported on system} :dt
UNDOCUMENTED :dd Multiple MPI processes cannot share the accelerator on your
system. For NVIDIA GPUs, see the nvidia-smi command to change this
setting. :dd
{All angle coeffs are not set} :dt {All angle coeffs are not set} :dt
@ -790,7 +788,8 @@ will assign the restart file info to actual atoms. :dd
{Cannot do GCMC on atoms in atom_modify first group} :dt {Cannot do GCMC on atoms in atom_modify first group} :dt
UNDOCUMENTED :dd This is a restriction due to the way atoms are organized in a list to
enable the atom_modify first command. :dd
{Cannot dump JPG file} :dt {Cannot dump JPG file} :dt
@ -1434,14 +1433,6 @@ Self-explanatory. :dd
Self-explanatory. :dd Self-explanatory. :dd
{Cannot use newton pair with lj/sdk/coul/long/gpu pair style} :dt
Self-explanatory. :dd
{Cannot use newton pair with lj/sdk/gpu pair style} :dt
Self-explanatory. :dd
{Cannot use newton pair with lj96/cut/gpu pair style} :dt {Cannot use newton pair with lj96/cut/gpu pair style} :dt
Self-explanatory. :dd Self-explanatory. :dd
@ -2194,7 +2185,8 @@ does not exist. :dd
{Could not find/initialize a specified accelerator device} :dt {Could not find/initialize a specified accelerator device} :dt
UNDOCUMENTED :dd Could not initialize at least one of the devices specified for the gpu
package :dd
{Could not grab element entry from EIM potential file} :dt {Could not grab element entry from EIM potential file} :dt
@ -2406,7 +2398,7 @@ simulation box to a great distance. :dd
{Double precision is not supported on this accelerator} :dt {Double precision is not supported on this accelerator} :dt
UNDOCUMENTED :dd Self-explanatory :dd
{Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu} :dt {Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu} :dt
@ -2665,15 +2657,18 @@ Self-explanatory. :dd
{Fix GCMC incompatible with given pair_style} :dt {Fix GCMC incompatible with given pair_style} :dt
UNDOCUMENTED :dd Some pair_styles do not provide single-atom energies, which are needed
by fix GCMC. :dd
{Fix GCMC molecule command requires atom attribute molecule} :dt {Fix GCMC molecule command requires atom attribute molecule} :dt
UNDOCUMENTED :dd Should not choose the GCMC molecule feature if no molecules are being
simulated. The general molecule flag is off, but GCMC's molecule flag
is on. :dd
{Fix GCMC molecule feature does not yet work} :dt {Fix GCMC molecule feature does not yet work} :dt
UNDOCUMENTED :dd Fix GCMC cannot (yet) be used to exchange molecules, only atoms. :dd
{Fix GPU split must be positive for hybrid pair styles} :dt {Fix GPU split must be positive for hybrid pair styles} :dt
@ -3049,6 +3044,14 @@ The index for the vector is out of bounds. :dd
Self-explanatory. :dd Self-explanatory. :dd
{Fix balance string is invalid} :dt
The string can only contain the characters "x", "y", or "z". :dd
{Fix balance string is invalid for 2d simulation} :dt
The string cannot contain the letter "z". :dd
{Fix bond/break requires special_bonds = 0,1,1} :dt {Fix bond/break requires special_bonds = 0,1,1} :dt
This is a restriction of the current fix bond/break implementation. :dd This is a restriction of the current fix bond/break implementation. :dd
@ -3602,11 +3605,12 @@ When using a "*" in the restart file name, no matching file was found. :dd
{GPU library not compiled for this accelerator} :dt {GPU library not compiled for this accelerator} :dt
UNDOCUMENTED :dd Self-explanatory. :dd
{GPU particle split must be set to 1 for this pair style.} :dt {GPU particle split must be set to 1 for this pair style.} :dt
UNDOCUMENTED :dd For this pair style, you cannot run part of the force calculation on
the host. See the package command. :dd
{Gmask function in equal-style variable formula} :dt {Gmask function in equal-style variable formula} :dt
@ -3883,6 +3887,10 @@ map command will force an atom map to be created. :dd
Self-explantory. :dd Self-explantory. :dd
{Input line quote not followed by whitespace} :dt
An end quote must be followed by whitespace. :dd
{Input line too long after variable substitution} :dt {Input line too long after variable substitution} :dt
This is a hard (very large) limit defined in the input.cpp file. :dd This is a hard (very large) limit defined in the input.cpp file. :dd
@ -3911,7 +3919,8 @@ should not happen if it is a reasonably shaped triangle. :dd
{Insufficient memory on accelerator} :dt {Insufficient memory on accelerator} :dt
UNDOCUMENTED :dd There is insufficient memory on one of the devices specified for the gpu
package :dd
{Invalid -reorder N value} :dt {Invalid -reorder N value} :dt
@ -3996,7 +4005,7 @@ An invalid type is being requested. :dd
{Invalid atom type in fix GCMC command} :dt {Invalid atom type in fix GCMC command} :dt
UNDOCUMENTED :dd The atom type specified in the GCMC command does not exist. :dd
{Invalid atom type in fix bond/create command} :dt {Invalid atom type in fix bond/create command} :dt
@ -4589,17 +4598,18 @@ compute per-atom quantities with an undefined pair style. :dd
{KIM initialization failed} :dt {KIM initialization failed} :dt
This is an error return from the KIM library. :dd This is an error generated by the KIM library. :dd
{KIM neighbor iterator exceeded range} :dt {KIM neighbor iterator exceeded range} :dt
This error should not normally occur if the KIM library is working This should not happen. It likely indicates a bug
correctly. :dd in the KIM implementation of the interatomic potential
where it is requesting neighbors incorrectly. :dd
{KIM_DIR environement variable is unset} :dt {KIM_DIR environment variable is unset} :dt
The KIM library requires that this environment variable be set before This environment variable must be set to use pair_style kim.
running LAMMPS> :dd See the doc page for pair_style kim. :dd
{KSpace style has not yet been set} :dt {KSpace style has not yet been set} :dt
@ -5134,10 +5144,6 @@ Self-explantory. :dd
Swap frequency in temper command must evenly divide the total # of Swap frequency in temper command must evenly divide the total # of
timesteps. :dd timesteps. :dd
{Not allocate memory eam/gpu pair style} :dt
UNDOCUMENTED :dd
{Nprocs not a multiple of N for -reorder} :dt {Nprocs not a multiple of N for -reorder} :dt
Self-explanatory. :dd Self-explanatory. :dd
@ -5162,11 +5168,6 @@ atoms. :dd
Self-explanatory. :dd Self-explanatory. :dd
{Out of memory on GPGPU} :dt
GPU memory is limited. Reduce the size of the problem or increase the
number of GPUs. :dd
{Out of range atoms - cannot compute PPPM} :dt {Out of range atoms - cannot compute PPPM} :dt
One or more atoms are attempting to map their charge to a PPPM grid One or more atoms are attempting to map their charge to a PPPM grid
@ -5200,7 +5201,7 @@ else the fix contribution to the pressure virial is incorrect. :dd
The global PPPM grid is larger than OFFSET in one or more dimensions. The global PPPM grid is larger than OFFSET in one or more dimensions.
OFFSET is currently set to 4096. You likely need to decrease the OFFSET is currently set to 4096. You likely need to decrease the
requested precision. :dd requested accuracy. :dd
{PPPM order cannot be greater than %d} :dt {PPPM order cannot be greater than %d} :dt
@ -5226,10 +5227,10 @@ Self-explanatory. :dd
Self-explanatory. :dd Self-explanatory. :dd
{PWD environement variable is unset} :dt {PWD environment variable is unset} :dt
The KIM library requires that this environment variable be set before This environment variable must be set to use pair_style kim.
running LAMMPS> :dd See the doc page for pair_style kim. :dd
{Package command after simulation box is defined} :dt {Package command after simulation box is defined} :dt
@ -5585,7 +5586,7 @@ then a kspace style must also be used. :dd
{Pair style kim requires newton pair off} :dt {Pair style kim requires newton pair off} :dt
Self-explanatory. :dd This is a current restriction of the KIM library. :dd
{Pair style lj/charmm/coul/charmm requires atom attribute q} :dt {Pair style lj/charmm/coul/charmm requires atom attribute q} :dt
@ -5645,10 +5646,6 @@ molecule adds forces to atoms owned by other processors. :dd
An atom_style with this attribute is needed. :dd An atom_style with this attribute is needed. :dd
{Pair style lj/sdk/coul/long/gpu requires atom attribute q} :dt
The atom style defined does not have this attribute. :dd
{Pair style peri requires atom style peri} :dt {Pair style peri requires atom style peri} :dt
Self-explanatory. :dd Self-explanatory. :dd
@ -6292,7 +6289,7 @@ temperature (nvt or langevin). :dd
{The package gpu command is required for gpu styles} :dt {The package gpu command is required for gpu styles} :dt
UNDOCUMENTED :dd Self-explanatory. :dd
{Thermo and fix not computed at compatible times} :dt {Thermo and fix not computed at compatible times} :dt
@ -6551,9 +6548,13 @@ CUDA mode is enabled, so the min style must include a cuda suffix. :dd
CUDA mode is enabled, so the run style must include a cuda suffix. :dd CUDA mode is enabled, so the run style must include a cuda suffix. :dd
{USER-CUDA package requires a cuda enabled atom_style} :dt
Self-explanatory. :dd
{Unable to initialize accelerator for use} :dt {Unable to initialize accelerator for use} :dt
UNDOCUMENTED :dd There was a problem initializing an accelerator for the gpu package :dd
{Unbalanced quotes in input line} :dt {Unbalanced quotes in input line} :dt
@ -6589,7 +6590,7 @@ The command is not known to LAMMPS. Check the input script. :dd
{Unknown error in GPU library} :dt {Unknown error in GPU library} :dt
UNDOCUMENTED :dd Self-explanatory. :dd
{Unknown identifier in data file: %s} :dt {Unknown identifier in data file: %s} :dt
@ -7080,7 +7081,8 @@ will be truncated to attempt to prevent the bond from blowing up. :dd
{Fix GCMC may delete atom with non-zero molecule ID} :dt {Fix GCMC may delete atom with non-zero molecule ID} :dt
UNDOCUMENTED :dd This is probably an error, since you should not delete only one atom
of a molecule. The GCMC molecule exchange feature does not yet work. :dd
{Fix SRD walls overlap but fix srd overlap not set} :dt {Fix SRD walls overlap but fix srd overlap not set} :dt