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for mpi_cores > 1 extract_variable does not return full array #93

@denisstrizhkin

Description

@denisstrizhkin

Script output:

mpi_cores = 1: len - 131144
mpi_cores = 4: len - 32448

Script itself:

#!/bin/python3

from pylammpsmpi import LammpsLibrary
import numpy as np

lmp1 = LammpsLibrary(cores=1)
lmp2 = LammpsLibrary(cores=4)


def run_cmds(lmp):
    lmp.command("units metal")
    lmp.command("dimension 3")
    lmp.command("boundary p p m")
    lmp.command("atom_style atomic")
    lmp.command("variable width equal 13")
    lmp.command("lattice diamond 5.43 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1")
    lmp.command("region box block -${width} ${width} -${width} ${width} -${width} ${width} units lattice")
    lmp.command("create_box 1 box")
    lmp.command("region Si block -${width} ${width} -${width} ${width} $(-v_width + 1) $(v_width - 1) units lattice")
    lmp.command("create_atoms 1 region Si")
    lmp.mass(1, 28.0855)
    lmp.command("variable ids atom id")
    lmp.run(0)
    return len(lmp.extract_variable("ids", "all", 1))


print("mpi_cores = 1: len -", run_cmds(lmp1))
print("mpi_cores = 4: len -", run_cmds(lmp2))

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