diff --git a/doc/Section_start.html b/doc/Section_start.html index 6918daa482..0d1446474e 100644 --- a/doc/Section_start.html +++ b/doc/Section_start.html @@ -38,7 +38,7 @@ tar xvf lammps*.tar

This will create a LAMMPS directory containing two files and several sub-directories:

-
+
@@ -355,7 +355,7 @@ package".

The current list of standard packages is as follows:

-
README text file
LICENSE the GNU General Public License (GPL)
bench benchmark problems
+
@@ -757,7 +757,7 @@ output is performed.

Specify a variable that will be defined for substitution purposes when the input script is read. "Name" is the variable name which can be a single character (referenced as $x in the input script) or a full -string (referenced as ${abc}). The value can be any string. Using +string (referenced as $\abc\). The value can be any string. Using this command-line option is equivalent to putting the line "variable name index value" at the beginning of the input script. Defining an index variable as a command-line argument overrides any setting for @@ -918,24 +918,27 @@ clusters.

GPU single vs double precision

-

See the lammps/lib/gpu/README for instructions on how to build the -LAMMPS gpu library for single vs double precision. The latter -requires that your GPU card supports double precision. +

See the lammps/lib/gpu/README file for instructions on how to build +the LAMMPS gpu library for single vs double precision. The latter +requires that your GPU card supports double precision. The lj/cut/gpu +pair style does not support double precision.

GPU Memory

-

Upon initialization of the pair style, LAMMPS will reserve memory for -64K atoms per GPU or 70% of each card's GPU memory, whichever value is -limiting. If the GPU library is compiled for double precision, the -maximum number of atoms per GPU is 32K. When running a periodic -system and/or in parallel, this maximum atom count includes ghost -atoms. +

There are restrictions on the number of atoms per GPU when running +the gayberne/gpu pair style. Upon initialization of the gayberne/gpu +pair style, LAMMPS will reserve memory for 64K atoms per GPU or 70% +of each card's GPU memory, whichever value is limiting. If the GPU +library is compiled for double precision, the maximum number of +atoms per GPU is 32K. When running a periodic system and/or in +parallel, this maximum atom count includes ghost atoms.

The value of 70% can be changed by editing the PERCENT_GPU_MEMORY -definition in the appopriate lammps/lib/gpu source file. The value of -64K cannot be increased and is the maximum number of atoms allowed per -GPU. By default, enough memory to store at least the maximum number -of neighbors per atom is reserved on the GPU, which is set by the +definition in the appopriate lammps/lib/gpu source file. For the +gayberne/gpu pair style, the value of 64K cannot be increased and is +the maximum number of atoms allowed per GPU. By default, enough +memory to store at least the maximum number of neighbors per atom is +reserved on the GPU, which is set by the neigh_modify one command. The default value of 2000 will be very high for many cases. If memory on the graphics card is limiting, the number of atoms allowed can be increased by diff --git a/doc/Section_start.txt b/doc/Section_start.txt index 41fc6d8c51..d993fbaf31 100644 --- a/doc/Section_start.txt +++ b/doc/Section_start.txt @@ -911,24 +911,27 @@ clusters. GPU single vs double precision :h4 -See the lammps/lib/gpu/README for instructions on how to build the -LAMMPS gpu library for single vs double precision. The latter -requires that your GPU card supports double precision. +See the lammps/lib/gpu/README file for instructions on how to build +the LAMMPS gpu library for single vs double precision. The latter +requires that your GPU card supports double precision. The lj/cut/gpu +pair style does not support double precision. GPU Memory :h4 -Upon initialization of the pair style, LAMMPS will reserve memory for -64K atoms per GPU or 70% of each card's GPU memory, whichever value is -limiting. If the GPU library is compiled for double precision, the -maximum number of atoms per GPU is 32K. When running a periodic -system and/or in parallel, this maximum atom count includes ghost -atoms. +There are restrictions on the number of atoms per GPU when running +the gayberne/gpu pair style. Upon initialization of the gayberne/gpu +pair style, LAMMPS will reserve memory for 64K atoms per GPU or 70% +of each card's GPU memory, whichever value is limiting. If the GPU +library is compiled for double precision, the maximum number of +atoms per GPU is 32K. When running a periodic system and/or in +parallel, this maximum atom count includes ghost atoms. The value of 70% can be changed by editing the PERCENT_GPU_MEMORY -definition in the appopriate lammps/lib/gpu source file. The value of -64K cannot be increased and is the maximum number of atoms allowed per -GPU. By default, enough memory to store at least the maximum number -of neighbors per atom is reserved on the GPU, which is set by the +definition in the appopriate lammps/lib/gpu source file. For the +gayberne/gpu pair style, the value of 64K cannot be increased and is +the maximum number of atoms allowed per GPU. By default, enough +memory to store at least the maximum number of neighbors per atom is +reserved on the GPU, which is set by the "neigh_modify one"_neigh_modify.html command. The default value of 2000 will be very high for many cases. If memory on the graphics card is limiting, the number of atoms allowed can be increased by

asphere aspherical particles and force fields
class2 class 2 force fields
colloid colloidal particle force fields