Commit 50062d6a authored by Podhorszki Norbert's avatar Podhorszki Norbert
Browse files

Added rerun example for ADIOS dump/read_dump to examples/USER/adios/rerun.

Moved the balance example under examples/USER/adios/balance
parent 18c16b4b
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Examples of how to use the rerun and read_dump commands with ADIOS

in.first - run on any number of procs for any size problem
in.rerun - run on same or different proc count for same size problem
in.read_dump - ditto to in.rerun

The thermo output on the same timesteps should be identical exactly,
or to within compression accuracy errors if compression is used.

$ grep "^ *[2468]00 " log.20Jan20.first.g++.7.4
     200   0.75953175   -5.7618892            0   -4.6226272   0.20910575
     400   0.74155675   -5.7343359            0   -4.6220356    0.3777989
     600   0.72087255   -5.7029314            0   -4.6216563   0.55730354
     800   0.70876958   -5.6840594            0   -4.6209382   0.66822293
$ grep "^ *[2468]00 " log.20Jan20.rerun.g++.7.4
     200   0.75953175   -5.7618892            0   -4.6226272   0.20910575
     400   0.74155675   -5.7343359            0   -4.6220356    0.3777989
     600   0.72087255   -5.7029314            0   -4.6216563   0.55730354
     800   0.70876958   -5.6840594            0   -4.6209382   0.66822293
$ grep "^ *[2468]00 " log.20Jan20.read_dump.g++.7.4 | sort -n
     200   0.75953175   -5.7618892            0   -4.6226272   0.20910575
     400   0.74155675   -5.7343359            0   -4.6220356    0.3777989
     600   0.72087255   -5.7029314            0   -4.6216563   0.55730354
     800   0.70876958   -5.6840594            0   -4.6209382   0.66822293

To dump the atom table from the lj_dump.bp, use the ADIOS bpls utility

$ bpls -l lj_dump.bp -d atoms -n 8 --format "%g" | less -S
  double    atoms      11*{32000, 8} = -3.97451 / 32000
    ( 0,    0,0)    1 1 0 0 0 -0.145828 -0.669946 -2.01722
    ( 0,    1,0)    2 1 0.839798 0.839798 0 -1.2587 1.4644 1.58791
    ( 0,    2,0)    3 1 0.839798 0 0.839798 -1.26427 -0.661341 1.11072
  ...
    (10,31997,0)    32000 1 31.7633 32.7835 33.2632 -0.32891 0.00446725 0.478541
    (10,31998,0)    31994 1 31.1663 32.7753 32.3628 -1.45085 0.668693 0.339836
    (10,31999,0)    31924 1 32.8007 32.8736 32.5882 -0.980419 -0.237448 -1.21369

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