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Updating "Running on GPUs" documentation to reflect changes in version 2. 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3787 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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pscrozi 2010-02-04 21:34:34 +00:00
parent 4ae4792b00
commit 2d390a1898
2 changed files with 35 additions and 29 deletions
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35
doc/Section_start.html
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@ -38,7 +38,7 @@ tar xvf lammps*.tar
<P>This will create a LAMMPS directory containing two files and several
sub-directories:
</P>
<DIV ALIGN=center><TABLE BORDER=1 >
<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
<TR><TD >README</TD><TD > text file</TD></TR>
<TR><TD >LICENSE</TD><TD > the GNU General Public License (GPL)</TD></TR>
<TR><TD >bench</TD><TD > benchmark problems</TD></TR>
@ -355,7 +355,7 @@ package".
</P>
<P>The current list of standard packages is as follows:
</P>
<DIV ALIGN=center><TABLE BORDER=1 >
<DIV ALIGN=center><TABLE WIDTH="0%" BORDER=1 >
<TR><TD >asphere </TD><TD > aspherical particles and force fields</TD></TR>
<TR><TD >class2 </TD><TD > class 2 force fields</TD></TR>
<TR><TD >colloid </TD><TD > colloidal particle force fields</TD></TR>
@ -757,7 +757,7 @@ output is performed.
<P>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 $\<I>abc\</I>). 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.
</P>
<H4>GPU single vs double precision
</H4>
<P>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.
<P>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.
</P>
<H4>GPU Memory
</H4>
<P>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.
<P>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.
</P>
<P>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
<A HREF = "neigh_modify.html">neigh_modify one</A> 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

29
doc/Section_start.txt
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@ -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