RESTART

NAME
RESTART - Write or read an unformatted file from which a simulation might be restarted

SYNOPSIS

 
RESTART 
...
END

DESCRIPTION
The RESTART command may include the following subcommands:

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read    filename   
read restart configuration from file filename. When this subcommand is active CONTROL(&RUN) must be non zero and the command READ_TPGPRM(&PARAMETERS) must have been entered.

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read_multiple_restart     filename_prefix     num
This command works only if the code is compiled using the MPI libraries and is not recognized when running in serial. Each of the nprocs processor will read a restart file named filename_prefix // iproc+num // .rst. So if filename_prefix is /u/foo/restarts/ala and num is 0, then process 0 will read the file /u/foo/restarts/ala0000.rst , process 1 will read the file /u/foo/restarts/ala0001.rst and so on. This command is useful when running in parallel multiple steered molecular dynamics trajectories (see also commands ADD_STR_BONDS, ADD_STR_BENDS, ADD_STR_TORS, of namelist &POTENTIAL.)

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rmr     filename_prefix     num
Same as above.

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write    fprint    OPEN  filename
write restart configuration to file filename every fprint fs.

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write    fprint    SAVE_ALL_FILES  filename
. write restart configuration to files filename//i//''.rst'' every fprint fs. (see also command read_multiple_restart).

EXAMPLES

 
RESTART 
  read file1.rst
  write 1000.0 OPEN file2.rst
END

RESTART 
  rmr ../RESTARTS/ala 0  
END

NB: In the last example valid for parallel runs, the relative path is specified with respect to the actual pwd of the parallel processes.