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Periodic with Multipole problem

Hi,

I found a new bug while running my 'agora' simulation (with periodic boundaries).

It seems that some particles are not well wrapped and the code crash with the multipole computation. I have got the following error:

Version : 0.6.0

Revision: v0.6.0-173-g1969a156-dirty, Branch: master, Date: 2017-08-17 11:01:16 +0100

Webpage : www.swiftsim.com

Config. options: '--with-metis=/ssoft/spack/lafnetscha/opt/spack/x86_E5v2_IntelIB/intel-16.0.3/metis-5.1.0-5aiij6wjuifmuzdwtuh3f2qrnbsjk3d --enable-debug=yes --disable-doxygen-doc --enable-debugging-checks'

Compiler: ICC, Version: 16.0.20160415

CFLAGS : '-g -O0 -I/ssoft/spack/lafnetscha/opt/spack/x86_E5v2_IntelIB/intel-16.0.3/metis-5.1.0-l5aiij6wjuifmuzdwtuh3f2qrnbsjk3d/include -I/home/lhausamm/local/include -L/home/lhausamm/local/lib -debug inline-debug-info -O3 -ansi_alias -xCORE-AVX-I -w2 -Wunused-variable -Werror'

HDF5 library version: 1.8.16

FFTW library version: 3.x (details not available)

[00000.0] main: CPU frequency used for tick conversion: 2593679783 H
[00000.0] main: Running on: r02-node27
[00000.0] main: WARNING: Debugging checks activated. Code will be slower !
[00000.0] main: sizeof(part) is 160 bytes.
[00000.0] main: sizeof(xpart) is 64 bytes.
[00000.0] main: sizeof(spart) is 96 bytes.
[00000.0] main: sizeof(gpart) is 128 bytes.
[00000.0] main: sizeof(multipole) is 160 bytes.
[00000.0] main: sizeof(grav_tensor) is 288 bytes.
[00000.0] main: sizeof(task) is 64 bytes.
[00000.0] main: sizeof(cell) is 768 bytes.
[00000.0] main: Reading runtime parameters from file 'params.yml'
[00000.0] main: Reading ICs from file 'rerun.hdf5'
[00000.1] read_ic_single: IC and internal units match. No conversion needed.
[00000.5] main: Reading initial conditions took 472.013 ms.
[00000.5] main: Read 100000 gas particles, 0 star particles and 312500 gparts from the ICs.
[00000.5] space_init: Re-scaling smoothing lengths by a factor 1.500000e+00
[00000.5] space_regrid: (re)griding space cdim=(12 12 12)
[00000.5] main: space_init took 18.435 ms.
[00000.5] main: space dimensions are [ 1250.000 1250.000 1250.000 ].
[00000.5] main: space is periodic.
[00000.5] main: highest-level cell dimensions are [ 12 12 12 ].
[00000.5] main: 100000 parts in 1728 cells.
[00000.5] main: 312500 gparts in 1728 cells.
[00000.5] main: 0 sparts in 1728 cells.
[00000.5] main: maximum depth is 0.
[00000.5] engine_init: no processor affinity used
[00000.6] engine_policy: engine policies are [ steal keep numa_affinity hydro self_gravity ]
[00000.6] hydro_props_print: Equation of state: Ideal gas.
[00000.6] hydro_props_print: Adiabatic index gamma: 1.666667.
[00000.6] hydro_props_print: Hydrodynamic scheme: Gadget-2 version of SPH (Springel 2005) in 3D.
[00000.6] hydro_props_print: Hydrodynamic kernel: Cubic spline (M4) with eta=1.234800 (48.00 neighbours).
[00000.6] hydro_props_print: Hydrodynamic relative tolerance in h: 0.00010 (+/- 0.0144 neighbours).
[00000.6] hydro_props_print: Hydrodynamic integration: CFL parameter: 0.1000.
[00000.6] hydro_props_print: Hydrodynamic integration: Max change of volume: 1.40 (max|dlog(h)/dt|=0.112157).
[00000.6] hydro_props_print: Maximal smoothing length allowed: 30.0000
[00000.6] gravity_props_print: Self-gravity scheme: FMM-MM with m-poles of order 4
[00000.6] gravity_props_print: Self-gravity time integration: eta=0.0250
[00000.6] gravity_props_print: Self-gravity opening angle: theta=0.7000
[00000.6] gravity_props_print: Self-gravity softening: epsilon=0.3000 (Plummer equivalent: 0.1000)
[00000.6] gravity_props_print: Self-gravity mesh smoothing-scale: a_smooth=1.250000
[00000.6] gravity_props_print: Self-gravity tree cut-off: r_cut_max=4.500000
[00000.6] gravity_props_print: Self-gravity truncation cut-off: r_cut_min=0.100000
[00000.6] engine_init: Absolute minimal timestep size: 9.714451e-17
[00000.6] engine_init: Minimal timestep size (on time-line): 5.215406e-08
[00000.6] engine_init: Maximal timestep size (on time-line): 6.835938e-03
[00000.6] main: engine_init took 25.706 ms.
[00000.6] main: Running on 100000 gas particles, 0 star particles and 212500 DM particles (312500 gravity particles)
[00000.6] main: from t=0.000e+00 until t=1.400e+01 with 16 threads and 16 queues (dt_min=1.000e-07, dt_max=1.000e-02)...
[00000.6] engine_init_particles: Computing initial gas densities.
[00000.6] space_rebuild: (re)building space
[00000.6] space_parts_sort: Sorting succeeded.
[00000.6] space_gparts_sort: Sorting succeeded.
[00020.4] engine_init_particles: Converting internal energy variable.
[00020.4] engine_init_particles: Running initial fake time-step.
[00055.5] engine_dump_snapshot: writing snapshot at t=0.000000e+00
Step Time Time-step Updates g-Updates s-Updates Wall-clock time [ms]
   0   0.000000e+00   0.000000e+00     100000     312500          0             54867.293
[00055.6] space_rebuild: (re)building space
[00055.6] space_parts_sort: Sorting succeeded.
[00055.6] space_gparts_sort: Sorting succeeded.
[00055.9] engine_drift_all: Drifting all
[00056.0] engine_print_stats: Saving statistics at t=5.340576e-05.
   1   5.340576e-05   5.340576e-05        933        933          0               412.111
   2   1.068115e-04   5.340576e-05      11260      11260          0              1325.795
   3   1.602173e-04   5.340576e-05        917        917          0               185.678
   4   2.136230e-04   5.340576e-05      35822      44792          0              4708.429
   5   2.670288e-04   5.340576e-05        886        886          0               192.488
   6   3.204346e-04   5.340576e-05      10986      10986          0              1362.634
   7   3.738403e-04   5.340576e-05        953        953          0               198.414
   8   4.272461e-04   5.340576e-05      68264     150979          0             14474.325
   9   4.806519e-04   5.340576e-05        813        813          0               176.789
  10   5.340576e-04   5.340576e-05      10549      10549          0              1449.466
  11   5.874634e-04   5.340576e-05        950        950          0               210.011
  12   6.408691e-04   5.340576e-05      34854      43843          0              5380.098
  13   6.942749e-04   5.340576e-05        897        897          0               199.843
  14   7.476807e-04   5.340576e-05      11007      11007          0              1561.776
  15   8.010864e-04   5.340576e-05        983        983          0               216.380
  16   8.544922e-04   5.340576e-05      99522     228072          0             30024.180
  17   9.078979e-04   5.340576e-05        829        829          0               198.447
  18   9.613037e-04   5.340576e-05      10433      10433          0              1609.372
[00119.7] engine_drift_all: Drifting all
[00119.8] engine_print_stats: Saving statistics at t=1.014709e-03.
  19   1.014709e-03   5.340576e-05        957        957          0               301.436
  20   1.068115e-03   5.340576e-05      34979      43955          0              6059.338
  21   1.121521e-03   5.340576e-05        914        914          0               221.218
  22   1.174927e-03   5.340576e-05      10885      10885          0              1712.910
  23   1.228333e-03   5.340576e-05        983        983          0               239.145
  24   1.281738e-03   5.340576e-05      68352     151190          0             17705.562
  25   1.335144e-03   5.340576e-05        836        836          0               225.723
  26   1.388550e-03   5.340576e-05      10314      10314          0              1807.062
  27   1.441956e-03   5.340576e-05        929        929          0               258.688
  28   1.495361e-03   5.340576e-05      34824      43787          0              6690.991
  29   1.548767e-03   5.340576e-05        887        887          0               233.650
  30   1.602173e-03   5.340576e-05      10793      10793          0              1946.390
  31   1.655579e-03   5.340576e-05        951        951          0               257.313
  32   1.708984e-03   5.340576e-05     100000     257017          0             40645.898
  33   1.762390e-03   5.340576e-05        801        801          0               243.867
  34   1.815796e-03   5.340576e-05      10281      10281          0              2003.010
  35   1.869202e-03   5.340576e-05        898        898          0               267.887
  36   1.922607e-03   5.340576e-05      34858      43780          0              7469.094
  37   1.976013e-03   5.340576e-05        873        873          0               251.718
[00210.2] engine_drift_all: Drifting all
[00210.2] engine_print_stats: Saving statistics at t=2.029419e-03.
  38   2.029419e-03   5.340576e-05      10773      10773          0              2201.974
  39   2.082825e-03   5.340576e-05        905        905          0               286.065
  40   2.136230e-03   5.340576e-05      68358     151087          0             21805.791
  41   2.189636e-03   5.340576e-05        748        748          0               243.625
  42   2.243042e-03   5.340576e-05      10263      10263          0              2223.367
  43   2.296448e-03   5.340576e-05        841        841          0               271.395
  44   2.349854e-03   5.340576e-05      34896      43813          0              8316.421
  45   2.403259e-03   5.340576e-05        741        741          0               274.325
  46   2.456665e-03   5.340576e-05      10687      10687          0              2442.868
  47   2.510071e-03   5.340576e-05        814        814          0               289.296
  48   2.563477e-03   5.340576e-05      99521     228063          0             40372.129
  49   2.616882e-03   5.340576e-05        723        723          0               276.660
  50   2.670288e-03   5.340576e-05      10142      10142          0              2434.874
  51   2.723694e-03   5.340576e-05        801        801          0               293.751
  52   2.777100e-03   5.340576e-05      34827      43679          0              9036.506
  53   2.830505e-03   5.340576e-05        713        713          0               281.984
  54   2.883911e-03   5.340576e-05      10585      10585          0              2603.273
  55   2.937317e-03   5.340576e-05        763        763          0               287.084
  56   2.990723e-03   5.340576e-05      68324     151068          0             25887.721
[00328.1] engine_drift_all: Drifting all
[00328.1] engine_print_stats: Saving statistics at t=3.044128e-03.
  57   3.044128e-03   5.340576e-05        676        676          0               311.053
  58   3.097534e-03   5.340576e-05       9998       9998          0              2624.991
  59   3.150940e-03   5.340576e-05        724        724          0               304.423
  60   3.204346e-03   5.340576e-05      34817      43572          0              9994.539
  61   3.257751e-03   5.340576e-05        654        654          0               287.671
  62   3.311157e-03   5.340576e-05      10429      10429          0              2814.719
  63   3.364563e-03   5.340576e-05        694        694          0               305.111
[00345.5] runner_doiact_fft.c:multipole_to_mesh_CIC():81: Invalid multipole position in y: 0.0096, -107.125

The last output was modified in order to print 'fac' and 'm->CoM[1]', CoM[1] is negative, therefore we will not be able to obtain an index > 0.

I used the options '-G -s' and the IC are at https://obswww.unige.ch/~lhausamm/swift/issues/multipole/

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