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2023-08-12Transition to pyAMReX (#3474)Gravatar Axel Huebl 1-2/+2
* pyAMReX: Build System * CI Updates (Changed Options) * Callback modernization (#4) * refactor callbacks.py * added binding code in `pyWarpX.cpp` to add or remove keys from the callback dictionary * minor PR cleanups Co-authored-by: Axel Huebl <axel.huebl@plasma.ninja> * Added Python level reference to fetch the multifabs (#3) * pyAMReX: Build System * Added Python level reference to Ex_aux * Now uses the multifab map * Fix typo Co-authored-by: Axel Huebl <axel.huebl@plasma.ninja> * Add initialization and finalize routines (#5) A basic PICMI input file will now run to completion. * Regression Tests: WarpX_PYTHON=ON * Update Imports to nD pyAMReX * IPO/LTO Control Although pybind11 relies heavily on IPO/LTO to create low-latency, small-binary bindings, some compilers will have troubles with that. Thus, we add a compile-time option to optionally disable it when needed. * Fix: Link Legacy WarpXWrappers.cpp * Wrap WarpX instance and start multi particle container * Fix test Python_pass_mpi_comm * Start wrapper for multiparticle container * Add return policy Co-authored-by: Axel Huebl <axel.huebl@plasma.ninja> * Update fields to use MultiFabs directly Remove EOL white space Removed old routines accessing MultiFabs Update to use "node_centered" * Fix compilation with Python * Update fields.py to use modified MultiFab tag names * Remove incorrect, unused code * Add function to extract the WarpX MultiParticleContainer * Complete class WarpXParticleContainer * Wrap functions getNprocs / getMyProc * restore `install___` callback API - could remove later if we want but should maintain backward compatibility for now * add `gett_new` and `getistep` functions wrappers; fix typos in `callbacks.py`; avoid error in getting `rho` from `fields.py` * Update callback call and `getNproc`/`getMyProc` function * Replace function add_n_particles * Fix setitem in fields.py for 1d and 2d * also update `gett_new()` in `_libwarpx.py` in case we want to keep that API * added binding for `WarpXParIter` - needed to port `libwarpx.depositChargeDensity()` which is an ongoing effort * Wrap function num_real_comp * added binding for `TotalNumberOfParticles` and continue progress on enabling 1d MCC test to run * add `SyncRho()` binding and create helper function in `libwarpx.depositChargeDensity` to manage scope of the particle iter * Clean up issues in fields.py * update bindings for `get_particle_structs` * Fix setitem in fields.py * switch order of initialization for particle container and particle iterator * switch deposit_charge loop to C++ code; bind `ApplyInverseVolumeScalingToChargeDensity` * move `WarpXParticleContainer.cpp` and `MultiParticleContainer.cpp` to new Particles folder * added binding for `ParticleBoundaryBuffer` * More fixes for fields.py * Fix: Backtraces from Python Add the Python executable name with an absolute path, so backtraces in AMReX work. See linked AMReX issue for details. * Cleaning * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Fix: Backtraces from Python Part II Do not add Python script name - it confuses the AMReX ParmParser to build its table. * Fix: CMake Dependencies for Wheel This fixes a racecondition during `pip_install`: it was possible that not all dimensions where yet build from pybind before we start packing them in the wheel for pip install. * MCC Test: Install Callbacks before Run Otherwise hangs in aquiring the gil during shutdown. * addition of `Python/pywarpx/particle_containers.py` and various associated bindings * Fix: CMake Superbuild w/ Shared AMReX We MUST build AMReX as a shared (so/dll/dylib) library, otherwise all the global state in it will cause split-brain situations, where our Python modules operate on different stacks. * add `clear_all()` to callbacks in order to remove all callbacks at finalize * add `-DWarpX_PYTHON=ON` to CI tests that failed to build * add `get_comp_index` and continue to port particle data bindings * Add AMReX Module as `libwarpx_so.amr` Attribute to pass through the already loaded AMReX module with the matching dimensionality to the simulation. * Fix for fields accounting for guard cells * Fix handling of ghost cells in fields * Update & Test: Particle Boundary Scraping * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * CI: Python Updates - modernize Python setups - drop CUDA 11.0 for good and go 11.3+ as documented already ``` Error #3246: Internal Compiler Error (codegen): "there was an error in verifying the lgenfe output!" ``` * CI: Python Updates (chmod) * Add support for cupy in fields.py * Add MultiFab reduction routines * CI: CUDA 11.3 is <= Ubuntu 20.04 * changed `AddNParticles` to take `amrex::Vector` arguments * setup.py: WarpX_PYTHON=ON * update various 2d and rz tests with new APIs * add `-DWarpX_PYTHON_IPO=OFF` to compile string for 2d and 3d Python CI tests to speed up linking * CI: -DpyAMReX_IPO=OFF * CI: -DpyAMReX_IPO=OFF actually adding `=OFF` * CI: Intel Python * CI: macOS Python Executable Ensure we always use the same `python3` executable, as specified by the `PATH` priority. * CMake: Python Multi-Config Build Add support for multi-config generators, especially on Windows. * __init__.py: Windows DLL Support Python 3.8+ on Windows: DLL search paths for dependent shared libraries Refs.: - https://github.com/python/cpython/issues/80266 - https://docs.python.org/3.8/library/os.html#os.add_dll_directory * CI: pywarpx Update our setup.py cannot install pyamrex yet as a dependency. * ABLASTR: `ablastr/export.H` Add a new header to export public globals that are not covered by `WINDOWS_EXPORT_ALL_SYMBOLS`. https://stackoverflow.com/questions/54560832/cmake-windows-export-all-symbols-does-not-cover-global-variables/54568678#54568678 * WarpX: EXPORT Globals in `.dll` files WarpX still uses a lot of globals: - `static` member variables - `extern` global variables These globals cannot be auto-exported with CMake's `WINDOWS_EXPORT_ALL_SYMBOLS` helper and thus we need to mark them manually for DLL export (and import) via the new ABLASTR `ablastr/export.H` helper macros. This starts to export symbols in the: - WarpX and particle container classes - callback hook database map - ES solver * CI: pywarpx Clang CXXFLAGS Down Move CXXFLAGS (`-Werror ...`) down until deps are installed. * GNUmake: Generate `ablastr/export.H` * CMake: More Symbol Exports for Windows * `WarpX-tests.ini`: Simplify Python no-IPO Also avoids subtle differences in compilation that increase compile time. * Update PICMI_inputs_EB_API.py for embedded_boundary_python_API CI test * Fix Python_magnetostatic_eb_3d * Update: Python_restart_runtime_components New Python APIs * Windows: no dllimport for now * CI: Skip `PYINSTALLOPTIONS` For Now * CMake: Dependency Bump Min-Versions for external packages picked up by `find_package`. * Fix F and G_fp names in fields.py * Tests: Disable `Python_pass_mpi_comm` * Wrappers: Cleanup * pyWarpX: Include Cleaning * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * fields.py: Fix F and G Wrappers Correct MultiFab names (w/o components). * Remove unused in fields.py * Windows: New Export Headers - ABLASTR: `ablastr/export.H` - WarpX: `Utils/export.H` * removed `WarpInterface.py` since that functionality is now in `particle_containers.py`; removed parts of `WarpXWrappers.cpp` that have been ported to pyamrex * CMake: Link OBJECT Target PRIVATE * CMake: Remove OBJECT Target Simplify and make `app` link `lib` (default: static). Remove OBJECT target. * Fix in fields.py for the components index * Update get_particle_id/cpu As implemented in pyAMReX with https://github.com/AMReX-Codes/pyamrex/pull/165 * WarpX: Update for Private Constructor * Import AMReX Before pyd DLL Call Importing AMReX will add the `add_dll_directory` to a potentially shared amrex DLL on Windows. * Windows CI: Set PATH to amrex_Nd.dll * CMake: AMReX_INSTALL After Python In superbuild, Python can modify `AMReX_BUILD_SHARED_LIBS`. * Clang Win CI: Manually Install requirements Sporadic error is: ``` ... Installing collected packages: pyparsing, numpy, scipy, periodictable, picmistandard ERROR: Could not install packages due to an OSError: [WinError 32] The process cannot access the file because it is being used by another process: 'C:\\hostedtoolcache\\windows\\Python\\3.11.4\\x64\\Lib\\site-packages\\numpy\\polynomial\\__init__.py' Consider using the `--user` option or check the permissions. ``` * Hopefully final fixes to fields.py * Update getProbLo/getProbHi * Set plasma length strength Co-authored-by: Remi Lehe <remi.lehe@normalesup.org> * Fix fields method to remove CodeQL notice * Update Comments & Some Finalize * Move: set_plasma_lens_strength to MPC --------- Co-authored-by: Roelof Groenewald <40245517+roelof-groenewald@users.noreply.github.com> Co-authored-by: David Grote <dpgrote@lbl.gov> Co-authored-by: Remi Lehe <remi.lehe@normalesup.org> Co-authored-by: Dave Grote <grote1@llnl.gov> Co-authored-by: Roelof Groenewald <regroenewald@gmail.com> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
2023-05-22Multi-Dim Buildsystem Support (#3933)Gravatar Axel Huebl 1-17/+20
* Multi-Dim Buildsystem Support * Docs
2022-12-07PSATD: Implement First-Order Equations (#3466)Gravatar Edoardo Zoni 1-0/+1
* Implement First-Order PSATD Equations * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Fix Unused Parameter Warning * Fix RZ Build * Fix Normalization of G to Match PML * Add CI Test: 3D Uniform Plasma * Cleaning * Update 2D CI Checksums * Update 3D CI Checksums * Add F,G to CI Checksums of `uniform_plasma_multiJ` * Allow User to Choose First-Order v. Second-Order * Add WARPX_ALWAYS_ASSERT_WITH_MESSAGE * Rename New Class `PsatdAlgorithmFirstOrder` * Remove Inline Comment * Update RZ CI Checksums * Fix inline comment * Use auxiliary variables to avoid divisions * Use auxiliary variables to avoid divisions * Make `nci_psatd_stability` dir and merge inputs * Move all Galilean tests to `nci_psatd_stability` * Fix CI * Fix index for backward FFT of J Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
2022-09-20PSATD: More Options for Time Dependency of J, Rho (#3242)Gravatar Edoardo Zoni 1-1/+1
* Rename PsatdAlgorithm as PsatdAlgorithmJConstantInTime * Add New Inputs: psatd.J_in_time, psatd.rho_in_time * Update PSATD Classes * Fix Bug for FDTD Build * Fix Warning for RZ PSATD Build * Fix Multi-J Loop w/ J Constant in Time * Clean up * Fix Error Message * Fix Time of Charge Deposition for Rho Linear * Add 3D Langmuir CI Tests w/ Multi-J Algo * Fix Checksums of New CI Tests * Remove Extra CI Tests (added in #3363) * Fix CI Tests w/ Multi-J PSATD * Add Docs for New Input Parameters * Galilean/Comoving PSATD Not Compatible w/ J Linear
2022-02-03Rename PSATD Classes (#2805)Gravatar Edoardo Zoni 1-5/+5
* Rename PSATD Classes * Rename PsatdAlgorithmJLinear as PsatdAlgorithmJLinearInTime
2022-01-31Separate Class for Multi-J PSATD Algo (#2748)Gravatar Edoardo Zoni 1-0/+1
* Separate Class for Multi-J PSATD Algo * Cleaning * X1,...,X6 Real, not Complex * Cleaning * Improve Comments, Rename Jx as Jx_old (etc.)
2022-01-20Implement PML for the outer RZ boundary with PSATD (#2211)Gravatar David Grote 1-0/+1
* Initial version of RZ PSATD PML BCs * Cleaned up some bugs * Add support of do_pml_in_domain option * Cleaned up stuff for building * Fix PMLPsatdAlgorithm macro * Removed unneeded variable from SpectralSolverRZ * Change length 3 arrays to length 2 (for 2D) * Cleanup around DampPML * Added more checks of pml[lev] * Added CI test for RZ PML * Added code to update the corner guard cells * Further updates * Added CI test * Fixed EOL space * Updated CI benchmarks, removing round off fields * Changes to CI missed on previous commit * Various fixes for clean up * More fixes for clean up * Further cleanup * Updated benchmark * Fixed benchmarks file * Minor cleanup * Added round off benchmark values * Fixed testname in analysis_pml_psatd_rz.py * Update comment in analysis file * Put pml_rz code in RZ and PSATD macro blocks * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Add geometry.dims input to CI test input file, inputs_rz * Cleanup to match recent changes Co-authored-by: Remi Lehe <remi.lehe@normalesup.org> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
2021-03-04Implement averaged algo on staggered grids & merge spectral classes (#1544)Gravatar Edoardo Zoni 1-3/+1
* Refactor and clean up some spectral classes * Abort when current correction or Vay deposition are not implemented * Implement general equations for averaged Galilean * Allocate averaged MultiFabs also when aux_is_nodal=1 and do_nodal=0 * Allocate +ngextra guard cells also for averaged MultiFabs * Make alias MultiFabs for averaged aux data * With averaging, interpolate from avg_fp (not fp) to aux * Fix some limits of the coefficients * Fix bug causing NaNs in spectral coefficients * Add 2D CI test with same analysis as nodal test * Add 3D CI test with same analysis as nodal test * Add limit that was not covered (knorm=0 && knorm_c!=0 && nu=0) * Allocate T2_coef only if Galilean algorithm is used * Allocate X4_coef only if Galilean algorithm is used * Remove extra ghost cell from 'avg_fp' MultiFabs
2020-12-02Improve spectral solver on staggered grids (#1468)Gravatar Edoardo Zoni 1-0/+1
* Implement Galilean PSATD equations on staggered grids * Implement high-order interpolation in 2D/3D * Include missing header file and small clean-up * Fix bug for FDTD build * Small clean-up * Modify current correction for staggered grids * Implement comoving PSATD scheme (formulation with rho) * Fix single-precision builds * Do not implement rho-free formulation for comoving PSATD yet * Invert sign of comoving velocity to match Galilean convention * Fix two bugs in comoving PSATD algorithm * Update benchmark of CI test momentum-conserving-gather * Update benchmark of CI test PlasmaAccelerationMR * Update documentation * Clean up comoving PSATD class * Clean up comoving PSATD class (more) * Clean up comoving PSATD class (more) * Implement changes requested in PR review * Add 2D regression test for staggered Galilean PSATD * Add 2D regression test for staggered comoving PSATD * Unify input files for new CI tests to avoid duplication * Fully rebase benchmarks changes on development * Update benchmark of Galilean hybrid test after #1536
2020-09-24RZ spectral current correction and Galilean (#1216)Gravatar David Grote 1-0/+1
* Added stub for current correction in RZ spectral solver * Fixed comments in RZ spectral for current correction stub * Modified automated test for Galilean PSATD (#1033) * Impemented current correction in RZ spectral * Implementation Galilean version of RZ spectral solver * For RZ spectral, do forward and backward transform with current correction * Big fix in DivEFunctor.cpp for RZ spectral * Added RZ rho diagnostic for saving the modes * Implemented fft_periodic_single_box for RZ spectral * Moved routines from SpectralSolverRZ.H to .cpp * Added hook for VayDeposition in GalileanPsatdAlgorithmRZ * Bug fix in DivEFunctor * Fixes and cleanup for GalileanPsatdAlgorithmRZ * Fix line spacing in SpectralSolverRZ.H * Fix factor 1/2 in update of Ep_m * Fix factor 1/2 in update of Em_m * Fix sign error in current correction in GalileanPsatdAlgorithmRZ.cpp Co-authored-by: Edoardo Zoni <59625522+EZoni@users.noreply.github.com> * Add Langmuir RZ PSATD test with current correction * Add Galilean tests with/without current correction * For RZ psatd, simplified copy for forward transform * Added GalileanPsatdAlgorithmRZ.cpp to CMakeLists * Minor cleanup in RZ spectral solver * In GalileanPsatdAlgorithmRZ.cpp use member initialization for m_v_galilean Co-authored-by: Edoardo Zoni <59625522+EZoni@users.noreply.github.com> * Added some _rt to GalileanPsatdAlgorithmRZ.cpp Co-authored-by: Olga Shapoval <30510597+oshapoval@users.noreply.github.com> Co-authored-by: Edoardo Zoni <59625522+EZoni@users.noreply.github.com> Co-authored-by: Edoardo Zoni <ezoni@lbl.gov>
2020-07-08Averaged Galilean PSATD (#869)Gravatar Olga Shapoval 1-0/+1
* Read Galilean velocity * Prepare structures for Galilean solver * Started implementing Galilean equations * Analytical limits for X1, X2, X3, X4 coefficients added * Slight changes added * Added Galilean position pusher * Scale galilean velocity * Remove unneeded Abort * Fix Galilean pusher * Allocate Theta2 array * Fix definition of coefficients * Increase guard cells for Galilean * Add guard cell in particle exchange * Added modifications for PICSAR galilean branch * Averaged coefficients added * Type corrected * v_gal added to warpx_current_deposition * v_gal added to WarpXParticleContainer.H * Bug fixed - update particle x-position over one time step * Fix issues with merge from dev * Averaged fileds allocated on fine patch (Ex) * Preparation for merging dev into galilean. * remove TABs by hand * Removed a tab. * Redeclared v_galilean as a vector & related changed * Added an automated test * Moved v_galilean inside WarpX constructor * Added analysis script for the automated test * Changed name of the automated test to galilean_psatd * Added InitializeSpectralCoefficients method * Removed temporary comments * Averaged fields added to FiledGather * Added infinite order k[i] * Setting kx_mod( kz_mod) = 0 for index = nx/2(-nz/2) * Adding galilean shift * Implemented galilean shift * Changed method's name from GalileanShift to ShiftGalileanBoundary * Added doxygen string for ShiftGalileanBoundary * Removed never used method LowerCornerWithCentering * Removed temporary comments * Removed dt as a variable from DepositCharge method and its dependencies * Changing type of v_galilean from amrex::Vector to amrex::Array * Changed back ng_fft to be equal nox_fft * Changed v_galilean's type from amrex::vector to amrex::array * Removed type * Removed temporary comments * Added flag 'do_time_averaging' to swith from unaveraged to averaged Galilean PSATD * Updated doxygen * Small fix on using 'do_time_averaging' flag * Remove some commented Print statements * [skip ci] Further cleanup * Fix compilation * Guard cells update of the averaged E,B fields * Corrected included header file accordingly * Removed EOL * Removed EOL * Corrected path of the included header file * Updated choice of the spectral solver. * Cleanup. * use amrex::exp instead of std::exp * no backward FFT for avg fields if avg is off * Need to shift avg fields in MoveWindow * Further cleaning * Added 2D automated test for averaged PSATD * Added automated 2D and 3D tests for averaged PSATD * Removed comments * Added specifications for averaged Galilean PSATD tests. * Bug fixed - do FillBoundary of the averaged fields only if averaged is activated * Do shiftMF of the averaged fields only if fft_do_time_averaging=true * Add checksum json benchmarks for averaged Galilean PSATD * Add missing indentation * Add missing indentation * Updated automated analysis script * Updated diags period * Fixed bug: no backtransform of the averaged fields when WARPX_DIM_RZ is set * Fixed an uninitialized variable * Clean-up * Changed permissions for analysis_avg_*d.py * Compactified variables initialization via conditional assignment * Initialized averaged E_avg, B_avg fields * Updated automated test for 2D averaged galilean PSATD * Updated benchmark for 2D averaged galilean PSATD * Updated automated 2D averaged PSATD test & benchmark * Updated automated 3D averaged PSATD test & benchmark * Fixed typo * Updated benchmark averaged_galilean_3d_psatd * Initialize the averaged fields only if the averaged Galilean PSATD algorithm is enabled * Encreased time step for automated 3D averaged Galilean PSATD (to be equal c*dt=dz while dz/dx=3) * Updated 3D automated test: specified standard deviations `.ux_th, .uy_th, .uz_th` along each direction * Typo from the previous commit: enabled the averaged algorithm * Trying out another input parameters for 3D averaged automated test with v_gal = v_plasma * Update benchmark for previously added 3D averaged automated test * Update 2D averaged automated test and corresponding benchmark * Revert "Updated diags period" This reverts commit 7334729b05e96589e020c981efdb430ca095991d. * Cleanup: removed unwanted comment. * Added descriptions of the 2D and 3D automated tests for the averaged Galilean PSATD. * Updated value calculated via standard Galilean PSATD. * Encreased relative error tolerance for 3D automated test for the averaged Galilean PSATD. * Removed to avoid duplication since it already specified in the corresponding 2D/3D input scripts. * Removed unwanted empty lines * Added spaces after function's names * Removed unwanted empty line * Removed * Fixed indentation * Cleanup: removed #include <math.h> * Cleanup: removed empty lines and fixed indentation * Added 'AvgGalileanAlgorithm.cpp' to 'CMakeLists.txt' Co-authored-by: Remi Lehe <remi.lehe@normalesup.org> Co-authored-by: MaxThevenet <mthevenet@lbl.gov>
2020-06-12Add CMake Scripts (#759)Gravatar Axel Huebl 1-0/+15
* [skip travis] CMake: Add CMake Scripts This add CMake scripts for the CMake build system generator. * CUDA Support Achieved Fastest compile via: cmake .. -DENABLE_CUDA=ON -DCUDA_ARCH=6.0 * CMake: openPMD & QED * CMake: Dimension Support WarpX_DIMS=2,3,RZ * CCache & Out-of-Source Enable CCache when found and prevent in-root builds (in-source okay-ish). * CMake: CUDA C++ Language Minimum * Add new Files * CI: Migrate macOS to CMake * Fortran: Enable Because Transitive ... for now :) * CI: Migrate Linux ICC to CMake * CI: Verbose Make * CMake: Add Missing PSATD Sources * CMake: PSATD, Compute, Precision, Clean