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Fix inaccurate error message

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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 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
file correctly. If multiple processors are writing the dump file, via 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. performed.
.. note:: .. note::

2
src/dump.cpp
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@ -228,7 +228,7 @@ void Dump::init()
if (sort_flag) { if (sort_flag) {
if (multiproc > 1) if (multiproc > 1)
error->all(FLERR, 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) if (sortcol == 0 && atom->tag_enable == 0)
error->all(FLERR,"Cannot dump sort on atom IDs with no atom IDs defined"); error->all(FLERR,"Cannot dump sort on atom IDs with no atom IDs defined");
if (sortcol && sortcol > size_one) 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 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 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 Can only dump sort when the number of dump file pieces using % in filename equals the number of processors
no sorting is allowed.
E: Cannot dump sort on atom IDs with no atom IDs defined E: Cannot dump sort on atom IDs with no atom IDs defined