diff --git a/doc/src/Section_errors.txt b/doc/src/Section_errors.txt index 36c122bd13..f2ef986394 100644 --- a/doc/src/Section_errors.txt +++ b/doc/src/Section_errors.txt @@ -22,7 +22,7 @@ either conceptually, or as printed out by the program. 12.1 Common problems :link(err_1),h4 -If two LAMMPS runs do not produce the same answer on different +If two LAMMPS runs do not produce the exact same answer on different machines or different numbers of processors, this is typically not a bug. In theory you should get identical answers on any number of processors and on any machine. In practice, numerical round-off can @@ -80,12 +80,24 @@ order. If you mess this up, LAMMPS will often flag the error, but it may also simply read a bogus argument and assign a value that is valid, but not what you wanted. E.g. trying to read the string "abc" as an integer value of 0. Careful reading of the associated doc page -for the command should allow you to fix these problems. Note that -some commands allow for variables to be specified in place of numeric -constants so that the value can be evaluated and change over the -course of a run. This is typically done with the syntax {v_name} for -a parameter, where name is the name of the variable. This is only -allowed if the command documentation says it is. +for the command should allow you to fix these problems. In most cases, +where LAMMPS expects to read a number, either integer or floating point, +it performs a stringent test on whether the provided input actually +is an integer or floating-point number, respectively, and reject the +input with an error message (for instance, when an integer is required, +but a floating-point number 1.0 is provided): + +ERROR: Expected integer parameter in input script or data file :pre + +Some commands allow for using variable references in place of numeric +constants so that the value can be evaluated and may change over the +course of a run. This is typically done with the syntax {v_name} for a +parameter, where name is the name of the variable. On the other hand, +immediate variable expansion with the syntax ${name} is performed while +reading the input and before parsing commands, + +NOTE: Using a variable reference (i.e. {v_name}) is only allowed if +the documentation of the corresponding command explicitly says it is. Generally, LAMMPS will print a message to the screen and logfile and exit gracefully when it encounters a fatal error. Sometimes it will