Action: FLUSH
Module | generic |
---|---|
Description | Usage |
This command instructs plumed to flush all the open files with a user specified frequency. |
Further details and examples
This command instructs plumed to flush all the open files with a user specified frequency. Notice that all files are flushed anyway every 10000 steps.
The input below uses the FLUSH command to get PLUMED to flush all the output files every 100 steps
d1DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=1,10 PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=d1 STRIDE the frequency with which the quantities of interest should be output=5 FILEthe name of the file on which to output these quantities=colvar1 FLUSHThis command instructs plumed to flush all the open files with a user specified frequency. More details STRIDEthe frequency with which all the open files should be flushed=100 d2 : DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,11 # also this print is flushed every 100 steps: PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=d2 STRIDE the frequency with which the quantities of interest should be output=10 FILEthe name of the file on which to output these quantities=colvar2:
This command is useful for preventing data loss that would otherwise arise as a consequence of the code
storing data for printing in the buffers. Notice that it will always flush all the open files and that the location
where put this command in the input does not matter. In the input above, for example both colvar1
and colvar2
are flushed every 100 steps.
Syntax
The following table describes the keywords and options that can be used with this action
Keyword | Type | Default | Description |
---|---|---|---|
STRIDE | compulsory | none | the frequency with which all the open files should be flushed |