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P3M GPU fails with MPI #1451

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KonradBreitsprecher opened this issue Sep 27, 2017 · 3 comments
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P3M GPU fails with MPI #1451

KonradBreitsprecher opened this issue Sep 27, 2017 · 3 comments

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@KonradBreitsprecher
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mpirun -np 2 ./pypresso gpup3m_issue.py

goes down with

terminate called after throwing an instance of 'std::out_of_range'
  what():  _Map_base::at

Features: 'CUDA', 'ELECTROSTATICS', 'FFTW', 'H5MD', 'P3M'

Testscript:

import espressomd
from espressomd.electrostatics import P3M_GPU

S=espressomd.System()
S.time_step=0.01
S.cell_system.skin = 0.4

S.box_l=[10,10,10]

S.part.add(pos=[0,0,0], q=1)
S.part.add(pos=[0,0,2], q=-1)

p3m=P3M_GPU(bjerrum_length=1.0,accuracy=1e-4)
S.actors.add(p3m)
@fweik
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fweik commented Sep 27, 2017

Funny enough

mpirun -np 2 ./pypresso ../testsuite/coulomb_cloud_wall.py

works. Will investigate.

@fweik fweik added this to the Espresso 4.0 milestone Sep 29, 2017
@KonradBreitsprecher
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On the CD on 19/10, I will work on that.
#600, #658, #1361 and #239 are related.

@KonradBreitsprecher
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Closed via #1546

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