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Fix inaccurate error message

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This commit is contained in:
Stan Gerald Moore
2021-11-18 08:50:09 -07:00
parent 94b11964f8
commit 15f1c2d960
3 changed files with 6 additions and 5 deletions
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4
doc/src/dump_modify.rst
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@ -561,7 +561,9 @@ 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
file correctly. If multiple processors are writing the dump file, via
the "%" wildcard in the dump filename, then sorting cannot be
the "%" wildcard in the dump filename and the *nfile* or *fileper*
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.
.. note::

2
src/dump.cpp
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@ -228,7 +228,7 @@ void Dump::init()
if (sort_flag) {
if (multiproc > 1)
error->all(FLERR,
"Cannot dump sort when multiple dump files are written");
"Cannot dump sort when 'nfile' or 'fileper' keywords are set to non-default values");
if (sortcol == 0 && atom->tag_enable == 0)
error->all(FLERR,"Cannot dump sort on atom IDs with no atom IDs defined");
if (sortcol && sortcol > size_one)

5
src/dump.h
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@ -173,10 +173,9 @@ 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 dump sort when multiple dump files are written
E: Cannot dump sort when 'nfile' or 'fileper' keywords are set to non-default values
In this mode, each processor dumps its atoms to a file, so
no sorting is allowed.
Can only dump sort when the number of dump file pieces using % in filename equals the number of processors
E: Cannot dump sort on atom IDs with no atom IDs defined