Merge pull request #421 from akohlmey/memory-output

improve memory usage reporting in info and output class
This commit is contained in:
sjplimp
2017-03-17 11:18:08 -06:00
committed by GitHub
4 changed files with 71 additions and 37 deletions

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@ -12,7 +12,7 @@ info command :h3
info args :pre
args = one or more of the following keywords: {out}, {all}, {system}, {communication}, {computes}, {dumps}, {fixes}, {groups}, {regions}, {variables}, {styles}, {time}, or {configuration}
args = one or more of the following keywords: {out}, {all}, {system}, {memory}, {communication}, {computes}, {dumps}, {fixes}, {groups}, {regions}, {variables}, {styles}, {time}, or {configuration}
{out} values = {screen}, {log}, {append} filename, {overwrite} filename
{styles} values = {all}, {angle}, {atom}, {bond}, {compute}, {command}, {dump}, {dihedral}, {fix}, {improper}, {integrate}, {kspace}, {minimize}, {pair}, {region} :ul
@ -40,6 +40,17 @@ to that file, which is either appended to or overwritten, respectively.
The {all} flag activates printing all categories listed below.
The {configuration} category prints some information about the
LAMMPS version as well as architecture and OS it is run on.
The {memory} category prints some information about the current
memory allocation of MPI rank 0 (this the amount of dynamically
allocated memory reported by LAMMPS classes). Where supported,
also some OS specific information about the size of the reserved
memory pool size (this is where malloc() and the new operator
request memory from) and the maximum resident set size is reported
(this is the maximum amount of physical memory occupied so far).
The {system} category prints a general system overview listing. This
includes the unit style, atom style, number of atoms, bonds, angles,
dihedrals, and impropers and the number of the respective types, box
@ -93,11 +104,6 @@ region :ul
The {time} category prints the accumulated CPU and wall time for the
process that writes output (usually MPI rank 0).
The {configuration} command prints some information about the LAMMPS
version and architecture and OS it is run on. Where supported, also
information about the memory consumption provided by the OS is
reported.
[Restrictions:] none
[Related commands:]