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Sorting is not required for balancing

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This commit is contained in:
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 in the Nth column of per-atom info in either ascending or descending
order. 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 The dump *local* style cannot be sorted by atom ID, since there are
typically multiple lines of output per atom. Some dump styles, such typically multiple lines of output per atom. Some dump styles, such
as *dcd* and *xtc*, require sorting by atom ID to format the output 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 pieces is not equal to the number of procs), then sorting cannot be
performed. 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:: .. note::
Unless it is required by the dump style, sorting dump file 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; ids = idsort = nullptr;
index = proclist = nullptr; index = proclist = nullptr;
irregular = nullptr; irregular = nullptr;
if (balance_flag)
error->all(FLERR,"Cannot balance dump output without sorting enabled");
} }
if (sort_flag) { 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 This is because a % signifies one file per processor and MPI-IO
creates one large file for all processors. 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 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 Can only dump sort when the number of dump file pieces using % in filename equals the number of processors