output

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Purpose

The output command is used to control the amount of printing to the Discover output file.

Syntax

output ?keyword = value?...


Keywords        Value        Default              Meaning


buf*fering     by_c*ommand  by_command     Control the frequency with which 
               by_l*ine                    output is flushed to the output 
               buf*fered                   file(s).

lev*el         norm*al      normal         Control the amount of output  
               none                        produced by BTCL commands.
               terse 
               ver*bose 

warn*ing_level norm*al      normal         Control the number of warning 
               none                        messages that are output by BTCL 
               every                       commands.

Description

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The output command controls the frequency and amount of output and the number of warning messages that are produced by BTCL commands.

The buffering keyword can be set to buffered, which is the usual UNIX block buffering (typically 8 KB). by_command causes the output to be flushed at the end of execution of each BTCL command. This is the default method and is relatively efficient in terms of number of disk accesses, while keeping the output file relatively current. by_line causes output to be flushed after every line.

The output level can be set to none, which means that no command (except for print commands) produces any output; terse, which results in very brief output (e.g., one line for the minimize command; normal, which is the usual (default) amount of output; or verbose, which is typically used for debugging.

The warning_level can be set to none, which suppresses the output of any warnings.

normal and every control output from commands that produce multiple similar warnings (e.g., iterated reports that nonbond groups are too large for the current cutoff). normal causes the first message to be output, together with a summary message at the end indicating the total number of warnings encountered. every causes all warning messages to be output.

Note that the output command differs from other BTCL commands in that the defaults for the output parameters are automatically set when the command is performed. For example:

cdlConfig output warning_level = none

output

is identical in functionality and operation to:

output warning_level = none

Example

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output warning_level = every

This example of the output command causes every BTCL command that prints warnings to display all such warnings in the output file.

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