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Particle Buffer for Backtransformed Diagnostics (#1898)
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* move BTD call before Redistribute

* define particle buffer, BTD particle functor, particle filter

* select particles on the slice

* add particle functors

* add Lorentz Transform

* fix conflict

* add call to loretnz operator

* storing Particles in buffer

* This is WIP. Added particle buffers, filled them, sent them for flush with number already flushed. Does not work for multiple flushes. Crashes for OpenPMD.

* trailing endif after rebase

* adding print statements and not flushing particles in OPENPMD if numpart is 0

* last timestep flush is ensured at the end of evolve loop

* fix bug in declaring uy uy new and computing uzp

* set particle Geom, BA, and DMAP for particle flush with plotfile

* set Particle BA Geom DMAP for particle buffer and no BTD transform for force flush

* separate compute and pack from flush

* Fix Typo: resizeable -> resizable

Fixes HDF5 BTD particle output.

* new class for plotfile particles for BTD

* copy particle_H and DATA and Header. some WIP print statements

* Merge plotfile

* clean print statements

* fix warning message

* struct declaration in header, fix warning

* doxygen comments and copyright

* clean print statements

* fix eol and override function warning

* tile data

* fix output species array size bug

* fix access for particle buffer size

* clean and move time-update

* add cur_time update back

* remove cur time update which was called twice

* dont access particles flushed already for full diagnostics

* cur time must be updated for RigidInjection BTD CI test to pass

* temporarily move call to BTD

* updating time and calling BTD before movewindow

* cleanup

* reset benchmarks and analysis script

* clean and add comments

* fix particle box array, geom, dmap

* reset benchmarks for multi_J rz and ElectrostaticSphereEB_mixedBC

* wip commit

* wip commit

* add SI conversion

* abort for openpmd bp backend if species is selected. Also write particle output for BTD only if write_species is 1

* add documentation for aborting if adios is used with openpmd and add other BTD input parameters

* Apply suggestions from code review

commit Axel's suggestions from review

Co-authored-by: Axel Huebl <[email protected]>

* use bool instead of int

* fix doxygen format

* using h5 as backend in example test to ensure consistency with abort for particle output.

* fix doxygen comment

* reset benchmark again for comoving_2d_psatd galilean_2d_psatd multi_J_rz_psatd

* reset benchmark for background_mcc

* self-review suggestions

* reset benchmarks. Update with last snapshot full info

* Axel's PR suggestions

Co-authored-by: Axel Huebl <[email protected]>

* Axel's doxygen fix

Co-authored-by: Axel Huebl <[email protected]>

* add comments

* fix eol

* improved exception handling for stringsteam

* PR suggestions

* Axels' suggestions from code review

Co-authored-by: Axel Huebl <[email protected]>

* Axel's suggestions :)

Co-authored-by: Axel Huebl <[email protected]>

* simplify logic

* suggestions from review (Axel/Reva)

Co-authored-by: Axel Huebl <[email protected]>

* variable name change for clarity

* if num particles in tmp array is 0, return

* Use new BTD inputs to set up BTD for particles in the corresponding particle container

* unused var

* fix logic error

* speciesID undefined

* separate particle and field buffer calls and initialization for BTD. Data common to both are initialized separately

* rename variable so it does not ghost existing varname

* add more comments

* Assert that fields are on

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* redundant function definition

* unused variable

* unused variable zp

* 1D 2D 3D definition

* fix else

* Apply suggestions from code review

Add Prabhat's suggestion

Co-authored-by: Prabhat Kumar <[email protected]>

* missing semicolon and ignore xp yp for 1D

* resetting benchmarks for boosted sims and mcc sim

* temporarily changing tolerance since the relative difference for momentum_z is 3.68e-3 and the current tolerance is 2.5e-3

Co-authored-by: Axel Huebl <[email protected]>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Prabhat Kumar <[email protected]>
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44 changes: 40 additions & 4 deletions Docs/source/usage/parameters.rst
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Expand Up @@ -1782,8 +1782,8 @@ In-situ capabilities can be used by turning on Sensei or Ascent (provided they a
If this is `1`, the last timestep is dumped regardless of ``<diag_name>.period``.

* ``<diag_name>.diag_type`` (`string`)
Type of diagnostics. So far, only ``Full`` is supported.
example: ``diag1.diag_type = Full``.
Type of diagnostics. ``Full`` and ``BackTransformed``
example: ``diag1.diag_type = Full`` or ``diag1.diag_type = BackTransformed``

* ``<diag_name>.format`` (`string` optional, default ``plotfile``)
Flush format. Possible values are:
Expand Down Expand Up @@ -1814,6 +1814,7 @@ In-situ capabilities can be used by turning on Sensei or Ascent (provided they a
``bp`` is the `ADIOS I/O library <https://csmd.ornl.gov/adios>`_, ``h5`` is the `HDF5 format <https://www.hdfgroup.org/solutions/hdf5/>`_, and ``json`` is a `simple text format <https://en.wikipedia.org/wiki/JSON>`_.
``json`` only works with serial/single-rank jobs.
When WarpX is compiled with openPMD support, the first available backend in the order given above is taken.
Note that when using ``BackTransformed`` diagnostic type, the openpmd format supports only ``h5`` backend for both species and fields, while ``bp`` backend can be used for visualizing fields, but not particles. The code will abort if ``bp`` is selected for particle output.

* ``<diag_name>.openpmd_encoding`` (optional, ``v`` (variable based), ``f`` (file based) or ``g`` (group based) ) only read if ``<diag_name>.format = openpmd``.
openPMD `file output encoding <https://openpmd-api.readthedocs.io/en/0.14.0/usage/concepts.html#iteration-and-series>`__.
Expand Down Expand Up @@ -1930,8 +1931,43 @@ In-situ capabilities can be used by turning on Sensei or Ascent (provided they a

.. _running-cpp-parameters-diagnostics-btd:

Back-Transformed Diagnostics
^^^^^^^^^^^^^^^^^^^^^^^^^^^^
BackTransformed Diagnostics (with support for Plotfile/openPMD output)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

``BackTransformed`` diag type are used when running a simulation in a boosted frame, to reconstruct output data to the lab frame. This option can be set using ``<diag_name>.diag_type = BackTransformed``. Additional options for this diagnostic include:

* ``<diag_name>.num_snapshots_lab`` (`integer`)
Only used when ``<diag_name>.diag_type`` is ``BackTransformed``.
The number of lab-frame snapshots that will be written.

* ``<diag_name>.dt_snapshots_lab`` (`float`, in seconds)
Only used when ``<diag_name>.diag_type`` is ``BackTransformed``.
The time interval inbetween the lab-frame snapshots (where this
time interval is expressed in the laboratory frame).

* ``<diag_name>.dz_snapshots_lab`` (`float`, in meters)
Only used when ``<diag_name>.diag_type`` is ``BackTransformed``.
Distance between the lab-frame snapshots (expressed in the laboratory
frame). ``dt_snapshots_lab`` is then computed by
``dt_snapshots_lab = dz_snapshots_lab/c``. Either `dt_snapshots_lab`
or `dz_snapshot_lab` is required.

* ``<diag_name>.buffer_size`` (`integer`)
Only used when ``<diag_name>.diag_type`` is ``BackTransformed``.
The default size of the back transformed diagnostic buffers used to generate lab-frame
data is 256. That is, when the multifab with lab-frame data has 256 z-slices,
the data will be flushed out. However, if many lab-frame snapshots are required for
diagnostics and visualization, the GPU may run out of memory with many large boxes with
a size of 256 in the z-direction. This input parameter can then be used to set a
smaller buffer-size, preferably multiples of 8, such that, a large number of
lab-frame snapshot data can be generated without running out of gpu memory.
The downside to using a small buffer size, is that the I/O time may increase due
to frequent flushes of the lab-frame data. The other option is to keep the default
value for buffer size and use slices to reduce the memory footprint and maintain
optimum I/O performance.

Back-Transformed Diagnostics (legacy output)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

``BackTransformedDiagnostics`` are used when running a simulation in a boosted frame, to reconstruct output data to the lab frame, and

Expand Down
1 change: 1 addition & 0 deletions Examples/Modules/boosted_diags/inputs_3d_slice
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Expand Up @@ -124,6 +124,7 @@ btd_openpmd.dz_snapshots_lab = 0.001
btd_openpmd.fields_to_plot = Ex Ey Ez Bx By Bz jx jy jz rho
btd_openpmd.format = openpmd
btd_openpmd.buffer_size = 32
btd_openpmd.openpmd_backend = h5

btd_pltfile.diag_type = BackTransformed
btd_pltfile.do_back_transformed_fields = 1
Expand Down
Original file line number Diff line number Diff line change
Expand Up @@ -15,5 +15,5 @@

my_check = checksumAPI.evaluate_checksum(
'background_mcc', 'Python_background_mcc_plt00050',
do_particles=True, rtol=2.5e-3
do_particles=True, rtol=3.7e-3
)
2 changes: 1 addition & 1 deletion Examples/Tests/ElectrostaticDirichletBC/analysis.py
Original file line number Diff line number Diff line change
Expand Up @@ -30,7 +30,7 @@
for ii, file in enumerate(files):
ds = yt.load( file )
times[ii] = (
ds.current_time.item() - float(ds.parameters.get('warpx.const_dt'))
ds.current_time.item()
)
data = ds.covering_grid(
level=0, left_edge=ds.domain_left_edge, dims=ds.domain_dimensions
Expand Down
54 changes: 27 additions & 27 deletions Regression/Checksum/benchmarks_json/LaserAccelerationBoost.json
Original file line number Diff line number Diff line change
Expand Up @@ -4,41 +4,41 @@
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48 changes: 24 additions & 24 deletions Regression/Checksum/benchmarks_json/PlasmaAccelerationBoost2d.json
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@
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Expand All @@ -12,42 +12,42 @@
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54 changes: 27 additions & 27 deletions Regression/Checksum/benchmarks_json/PlasmaAccelerationBoost3d.json
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@
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Expand All @@ -13,11 +13,11 @@
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Expand All @@ -27,42 +27,42 @@
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36 changes: 18 additions & 18 deletions Regression/Checksum/benchmarks_json/background_mcc.json
Original file line number Diff line number Diff line change
@@ -1,26 +1,26 @@
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