Action: DEBUG
Module | generic |
---|---|
Description | Usage |
Set some debug options. |
Further details and examples
Set some debug options.
This action can be used while debugging or optimizing plumed. The example input below demonstates two useful ways you can use the DEBUG command
# print detailed (action-by-action) timers at the end of simulation a: DEBUGSet some debug options. More details DETAILED_TIMERS switch on detailed timers # dump every two steps which are the atoms required from the MD code b: DEBUGSet some debug options. More details logRequestedAtoms write in the log which atoms have been requested at a given time STRIDE the frequency with which this action is to be performed=2
Syntax
The following table describes the keywords and options that can be used with this action
Keyword | Type | Default | Description |
---|---|---|---|
STRIDE | compulsory | 1 | the frequency with which this action is to be performed |
logActivity | optional | false | write in the log which actions are inactive and which are inactive |
logRequestedAtoms | optional | false | write in the log which atoms have been requested at a given time |
NOVIRIAL | optional | false | switch off the virial contribution for the entirety of the simulation |
DETAILED_TIMERS | optional | false | switch on detailed timers |
FILE | optional | not used | the name of the file on which to output these quantities |