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Sorting is not required for balancing

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Stan Gerald Moore
2022-01-24 16:22:55 -07:00
parent cb9ba8c0a3
commit 67af170929
3 changed files with 8 additions and 15 deletions
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16
doc/src/dump_modify.rst
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@ -659,14 +659,6 @@ atom ID. A sort value of N or -N means sort the output by the value
in the Nth column of per-atom info in either ascending or descending
order.
In a parallel run, the per-processor dump file pieces can have
significant imbalance in number of lines of per-atom info. The *balance*
keyword determines whether the number of lines in each processor
snapshot are balanced to be nearly the same. A balance value of *no*
means no balancing will be done, while *yes* means balancing will be
performed. For a serial run, this option is ignored since the output is
already balanced. Dump sorting must be enabled to use balancing.
The dump *local* style cannot be sorted by atom ID, since there are
typically multiple lines of output per atom. Some dump styles, such
as *dcd* and *xtc*, require sorting by atom ID to format the output
@ -676,6 +668,14 @@ keywords are set to non-default values (i.e. the number of dump file
pieces is not equal to the number of procs), then sorting cannot be
performed.
In a parallel run, the per-processor dump file pieces can have
significant imbalance in number of lines of per-atom info. The *balance*
keyword determines whether the number of lines in each processor
snapshot are balanced to be nearly the same. A balance value of *no*
means no balancing will be done, while *yes* means balancing will be
performed. For a serial run, this option is ignored since the output is
already balanced.
.. note::
Unless it is required by the dump style, sorting dump file

3
src/dump.cpp
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@ -223,9 +223,6 @@ void Dump::init()
ids = idsort = nullptr;
index = proclist = nullptr;
irregular = nullptr;
if (balance_flag)
error->all(FLERR,"Cannot balance dump output without sorting enabled");
}
if (sort_flag) {

4
src/dump.h
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@ -176,10 +176,6 @@ E: Dump file MPI-IO output not allowed with % in filename
This is because a % signifies one file per processor and MPI-IO
creates one large file for all processors.
E: Cannot balance dump output without sorting enabled
Self-explanatory.
E: Cannot dump sort when 'nfile' or 'fileper' keywords are set to non-default values
Can only dump sort when the number of dump file pieces using % in filename equals the number of processors