Homec4science
Diffusion LibMultiScale (lammps_2020) Browse

libmultiscale/clients/AMEL-sphere.py
5dfe070245a7lammps_2020

Last Change
Raw File

AMEL-sphere.py
View Options

#!/usr/bin/python3
# -*- coding: utf-8 -*-
################################################################
# ./python/AMEL.py
################################################################
# author : Guillaume ANCIAUX (guillaume.anciaux@epfl.ch, g.anciaux@laposte.net)
# @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
#
# @date Mon Sep 08 23:40:22 2014
#
# @brief This describe the root objects to be combined
# into valid LM components
#
# @section LICENSE
#
# Copyright (©) 2010-2011 EPFL (Ecole Polytechnique Fédérale de Lausanne)
# Laboratory (LSMS - Laboratoire de Simulation en Mécanique des Solides)
#
# LibMultiScale is free software: you can redistribute it and/or modify it under the
# terms of the GNU Lesser General Public License as published by the Free
# Software Foundation, either version 3 of the License, or (at your option) any
# later version.
#
# LibMultiScale is distributed in the hope that it will be useful, but WITHOUT ANY
# WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
# A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
# details.
#
# You should have received a copy of the GNU Lesser General Public License
# along with LibMultiScale. If not, see <http://www.gnu.org/licenses/>.
################################################################
import time
import datetime
import argparse
import pylibmultiscale as lm
from mpi4py import MPI
################################################################
lastdump = -1e30
lastStep = 0
nb_step = 0
################################################################
def printState():
if lm.lm_my_proc_id != 0:
return
global lastdump, lastStep, nb_step
gtime = time.time()
if (gtime - lastdump) < 2:
return
nstep_done = - lastStep + lm.current_step
info_steps = "{0:>2d} % - passing step {1:>5d}/{2:<5d}".format(
100*lm.current_step/nb_step,
lm.current_step, nb_step)
if lm.current_step > 0:
step_per_seconds = nstep_done/(gtime - lastdump)
time_per_step = datetime.timedelta(
seconds=(gtime - lastdump)/nstep_done)
remaining_time = time_per_step * (nb_step-lm.current_step)
step_per_seconds = "{0:.2f}".format(step_per_seconds)
info_steps += " {0: >5s} steps/seconds".format(step_per_seconds)
info_steps += " remaining {0}".format(remaining_time)
print(info_steps)
lastStep = lm.current_step
lastdump = gtime
################################################################
def Usage():
parser = argparse.ArgumentParser(
description='AMEL: LibMultiScale basic client, Python version')
parser.add_argument('input_file',
help='global config file of the simulation')
parser.add_argument('nsteps', type=int,
help='Number of step wanted to be run (>=0)')
try:
args = parser.parse_args()
except SystemExit as e:
print("\nGenerated release file: release.info")
open('release.info', 'w').write(lm.release_info)
raise e
return args.input_file, args.nsteps
################################################################
time_step = 1e300
def get_min_time_step(d):
ts = d.getParam("TIMESTEP")
global time_step
time_step = min(time_step, ts)
def main():
lm.loadModules()
global nb_step
conf, nb_step = Usage()
comm = MPI.COMM_WORLD
comm.Barrier()
dom = lm.DomainMultiScale.getManager()
dom.build(conf)
actions = lm.ActionManager.getManager()
nb_step += lm.current_step.fget()
comm.Barrier()
shouldPrintState = True
dom.for_each(get_min_time_step)
print("Multiscale timestep:", time_step)
current_time = lm.current_step.fget()*time_step
for current_step in range(lm.current_step.fget(), nb_step):
lm.current_step.fset(current_step)
current_time += time_step
if shouldPrintState:
printState()
print('current_stage: ', lm.current_stage.fget())
lm.current_stage.fset(lm.PRE_DUMP)
actions.action()
lm.current_stage.fset(lm.PRE_STEP1)
actions.action()
def newmark_predictor(d):
v = d.primalTimeDerivative()
p = d.primal()
acc = d.acceleration()
v += 0.5 * time_step * acc
p += time_step * v
if isinstance(d, lm.DomainLammps3):
angular_vel = d.getField(lm.angular_velocity)
angular_acc = d.getField(lm.angular_acceleration)
angular_vel += 0.5 * time_step * angular_acc
d.changeRelease()
dom.for_each(newmark_predictor)
dom.for_each(lambda d: d.enforceCompatibility())
dom.coupling(lm.COUPLING_STEP1)
lm.current_stage.fset(lm.PRE_STEP2)
actions.action()
dom.for_each(lambda d: d.updateGradient())
dom.coupling(lm.COUPLING_STEP2)
lm.current_stage.fset(lm.PRE_STEP3)
actions.action()
dom.for_each(lambda d: d.updateAcceleration())
def newmark_corrector(d):
v = d.primalTimeDerivative()
acc = d.acceleration()
v += 0.5 * time_step * acc
if isinstance(d, lm.DomainLammps3):
angular_vel = d.getField(lm.angular_velocity)
angular_acc = d.getField(lm.angular_acceleration)
angular_vel += 0.5 * time_step * angular_acc
d.changeRelease()
dom.for_each(newmark_corrector)
dom.coupling(lm.COUPLING_STEP3)
lm.current_stage.fset(lm.PRE_STEP4)
actions.action()
dom.coupling(lm.COUPLING_STEP4)
comm.Barrier()
lm.current_stage.fset(lm.PRE_DUMP)
actions.action()
lm.current_stage.fset(lm.PRE_STEP1)
actions.action()
lm.closeModules()
print("Done")
################################################################
if __name__ == "__main__":
main()
c4science · Help