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:
readfilename
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.
read_multiple_restart filename_prefixnum
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.)
rmr filename_prefixnum
Same as above.
write fprint OPEN filename
write restart configuration to file filename every fprint
fs.
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 paralle runs, the relative path is specifed with respect to the actualpwd of the parallel processes.