[WIP] Add collisional diagnostic buffers #5543
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This looks good. A comment - these new MultiFabs will automatically be accessible from Python since they are stored in the MultiFab map. You can also add convenience wrappers for them by adding the appropriate wrapper routines in |
for more information, see https://pre-commit.ci
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@dpgrote, thanks for the tip! |
| const auto [ii, jj, kk] = amrex::getParticleCell(p , plo, dxi).dim3(); | ||
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| // store energy lost in the buffer | ||
| coll_ionization_arr(ii, jj, kk, 0) += w[ip + np_elec]; |
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I've added everything that I think I'll need for this diagnostic, but am running into the following compilation error:
/home/bj8080/src/warpx/Source/Particles/Collision/BackgroundMCC/BackgroundMCCCollision.cpp:603:67: error:
assignment of read-only location 'coll_ionization_arr.amrex::Array4<const double>::operator()<>(((int)ii), ((int)jj), ((int)kk), 0)'
603 | coll_ionization_arr(ii, jj, kk, 0) += w[ip + np_elec];
| ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~
since coll_ionization_tracking is a constant. When I correct for this by removing const from the initialization of coll_ionization_arr and the earlier line initializing coll_ionization, I get an error:
/home/bj8080/src/warpx/Source/Particles/Collision/BackgroundMCC/BackgroundMCCCollision.cpp:586:67:
error: cannot bind non-const lvalue reference of type 'amrex::Array4<double>&' to an rvalue of type 'amrex::Array4<double>'
586 | auto& coll_ionization_arr = coll_ionization[pti].array();
| ~~~~~~~~~~~~~~~~~~~~~~~~~~^~
I think to get around this I should create a multifab to sum up the ionization events, and then add that multifab to coll_ionization_arr. How would I do this? Or, is there a better approach?
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Pinging this with @roelof-groenewald, since we've talked about this feature in discussion 5381. Would you be able to take a look?
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I think you should do
const auto& coll_ionization_arr = coll_ionization.array(pti);
Does that help?
| collision_energy_change, /**< Stores collisional energy transfer data for Monte Carlo Collisions */ | ||
| collision_ionization /**< Stores ionization data for Monte Carlo Collisions */ |
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For clarity it would be good to add mcc to these multifab names (to make it clear they are tied to the MCC routine). Maybe something like mcc_collision_energy_change, etc.
| if (WarpX::do_MCC_energy_tracking) { | ||
| // Calculate the energy lost for tracking | ||
| v_lost2 -= ux[ip]*ux[ip] + uy[ip]*uy[ip] + uz[ip]*uz[ip]; | ||
| ParticleUtils::getEnergy(v_lost2, m, E_lost); | ||
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| // store the energy (add E_lost * w[ip] to the buffer of energy sent to the background) | ||
| // get the particle's cell index (method used here is similar to TemperatureFunctor.cpp) | ||
| const auto p = WarpXParticleContainer::ParticleType(ptd, ip); | ||
| const auto [ii, jj, kk] = amrex::getParticleCell(p , plo, dxi).dim3(); | ||
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| // store energy lost in the buffer | ||
| coll_E_change_arr(ii, jj, kk, 0) += E_lost * w[ip]; | ||
| } |
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It would be nice if this code does not need to be duplicated as it is currently. Perhaps the break can be removed, and a else used for the non-charge exchange processes?
| // Control whether Monte Carlo Collision statistics are collected | ||
| static bool do_MCC_energy_tracking; | ||
| static bool do_MCC_ionization_tracking; | ||
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These should instead be made member variables of the BackgroundMCCCollision class.
| @@ -2224,6 +2274,25 @@ WarpX::AllocLevelMFs (int lev, const BoxArray& ba, const DistributionMapping& dm | |||
| m_fields.alloc_init(FieldType::current_fp, Direction{1}, lev, amrex::convert(ba, jy_nodal_flag), dm, ncomps, ngJ, 0.0_rt); | |||
| m_fields.alloc_init(FieldType::current_fp, Direction{2}, lev, amrex::convert(ba, jz_nodal_flag), dm, ncomps, ngJ, 0.0_rt); | |||
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| // Allocate extra multifabs needed for MCC collision tracking | |||
| if (do_MCC_ionization_tracking || do_MCC_energy_tracking) { | |||
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These multifabs could also be initialized in the constructor for BackgroundMCCCollision.
| const auto& coll_ionization_arr = coll_ionization[pti].array(); | ||
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| // get Struct-Of-Array particle data | ||
| // as long as w is set after the copy, will it include newly created particles (be of length np_elec + num_added)? |
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Yes, at this point the length will include the new particles (since this happens after setNewParticleIDs.
| const auto p = WarpXParticleContainer::ParticleType(ptd, ip + np_elec); | ||
| const auto [ii, jj, kk] = amrex::getParticleCell(p , plo, dxi).dim3(); | ||
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| // store energy lost in the buffer |
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This buffer is tracking number of electrons created, not energy, right?
| const auto [ii, jj, kk] = amrex::getParticleCell(p , plo, dxi).dim3(); | ||
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| // store energy lost in the buffer | ||
| coll_ionization_arr(ii, jj, kk, 0) += w[ip + np_elec]; |
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I think you should do
const auto& coll_ionization_arr = coll_ionization.array(pti);
Does that help?
Stemming out of conversation #5381 with @roelof-groenewald, included is initial work on adding
multifabbuffers to track collisional diagnostics in a MCC-type simulation.The work on two buffers is in progress--one for ionization and one for total collisional energy loss. Both
multifabshave been included inFields.Hand initialized inWarpX.cpp. Relevant flags to turn on MCC tracking have been created inWarpX.Hand initialized inWarpX.cpp. The energy lossmultifabhas been added into the collision protocol, and future commits will add the ionization buffer.In the end, I aim to set up Python access to these
multifabs, with similar functionality to theparticle_containers.ParticleBoundaryBufferWrapper()wrappers.