Trotterisation test update#728
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…d statevecs and densmats, and both permutePaulis options
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Bloody quad precision. I suspect calculating exponents is the underlying culprit here. We're probably checking against an overly optimistic absolute error in these. Will tweak it up for these tests. |
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Ah, I see |
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Okay, when tested locally all quad precision configurations failed, so I've applied the epsilon increase for all deployments, not just single-threaded. |
…on imaginary time evolution tests
…d destroying temp caches (which I guess makes them not caches?) with a set number of qubits
…across deployments
… number of steps to admit the possibility of testing density matrices too
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Hi @TysonRayJones, hopefully this version of the Trotter tests sparks joy! We're now using a bit more of the general QuEST testing machinery, and testing across deployments. The unitary time evo tests are a bit trickier, as I really can't think of a way to do that that doesn't involve fixed numbers of qubits, but again I've updated them to work across deployments and test on density matrices as well as statevectors. |
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Wew amazing! 🎉 🎉 I'll do a micro change to the var-names in Note in quad-precision and with multithreading on my machine, I get a failure: Happy to just bump both epsilons by Finally, these tests are (relatively) slow, and we may wish to avoid them in paid CI runners (if they hypothetically return) since the trotter functions just call separately tested backend functions; they are ergo "backend agnostic". So we don't actually have to run these tests cross-platform to know they'll pass (although I'd so for rigour if time was free, of course). I'll add a flag to the github workflows to skip trotter tests in the paid CI |
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All sounds good to me, thanks Tyson! |
to lazily pass CPU clang quad-precision
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@otbrown this is ready to merge if you're happy with my changes above |
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Looks good to me! Thanks Tyson. |
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Jun 3, 2026
* Fix applyMultiStateControlledSqrtSwap argument list (#738) Remove numControls argument from applyMultiStateControlledSqrtSwap overloaded definition taking std::vector<int> (cherry picked from commit 9c20792) Co-authored-by: D-Exposito <dexposito@cesga.es> * Trotterisation test update (#728) * tests/unit/trotterisation.cpp: updated to use REQUIRE_AGREE and cached statevecs and densmats, and both permutePaulis options * tests/utils/compare.hpp/cpp: added setters for test epsilon * tests/unit/trotterisation.cpp: adjusted test epsilon for quad precision imaginary time evolution tests * tests/unit/trotterisation.cpp: moved unitary time evo test to REQUIRE_AGREE * tests/utils/cache.hpp/cpp: added additional utilities for creating and destroying temp caches (which I guess makes them not caches?) with a set number of qubits * tests/unit/trotterisation.cpp: updated unitary time evo test to test across deployments * tests/unit/trotterisation.cpp: reduced number of qubits and increased number of steps to admit the possibility of testing density matrices too * tests/unit/trotterisation.cpp: added density matrix tests * reduce test precision to lazily pass CPU clang quad-precision * skip Trotter tests in paid CI * changing varname convention * renaming cache funcs --------- Co-authored-by: Oliver Thomson Brown <8394906+otbrown@users.noreply.github.com> Co-authored-by: Tyson Jones <tyson.jones.input@gmail.com> * added Daniel Patino to authorlist * CMake warn when non-release build (#742) --------- Co-authored-by: Oliver Thomson Brown <otbrown@users.noreply.github.com> * Stop Trotter funcs mutating PauliStrSum (#740) Formerly, the Trotter functions (such as applyTrotterizedPauliStrSumGadget()), when passed permutePaulis=true, would randomly permutate the order of the passed PauliStrSum, mutating it and affecting the outputs of subsequent functions like reportPauliStrSum(). The function also contained superfluous memory allocs/copies equal in size to the PauliStrSum. Now, the PauliStrSum is never mutated, and an internally allocated ordering list keeps track of the randomised permutation. We also updated the doc, renamed permutePaulis to permuteTerms, and improved validation. Note that 'permuteTerms' had not yet reached main/release, so these changes do not need to be documented in the v4.3 release notes. * Created custom backend complex types (#729) Created cpu_qcomp and gpu_qcomp (from a shared base_qcomp) to avoid std::complex arithmetic operators in hot loops which caused performance issues. Removed all prior compiler flags and related scaffolding attempting to mitigate the performance issue. Also gave MSVC build the params `/Zc:preprocessor -Xcompiler=/Zc:preprocessor /bigobj` as needed for compilation of the unit tests on my windows machines. * Replace vector<int> with SmallList (a stack array) (#743) This is to circumvent the std::vector performance overheads visible in few-qubit simulation (responsible for a performance regression from v3; see #720), and also so that qubit lists can be passed directly to CUDA kernels without conversion (as explored in #739). * Added few-qubit optimisations (#750) Optimisations include: - Adopted SmallView (const SmallList&) to avoid superfluous SmallList copies - Made internally created matrices static - Change accelerator dynamic function vectors to static arrays - Exit all validators early when validation is disabled Additional cleanup includes: - Tidied accelerator macros (replaced param-specific macros like "numCtrls" and "numTargs" with "param") - Fill ctrlStates vectors with default before localiser - Renamed getBitsFromInteger to setToBitsOfInteger - Adopted const in bitwise.hpp to better express intent Note that the naming of SmallList and SmallView will be subsequently changed to List64 and ConstList64 * Renamed debug API functions to contain "QuEST" (#752) * Renamed environment variables to begin with"QUEST" (#755) * Renamed CMake vars and preprocessors (#756) such that they all begin with QUEST, but some have additional changes * Renamed Small(List|View) to (Const)List64 (#757) * Defer Catch2 test discovery so that we can compile MPI tests on systems which cannot actually run with MPI, because they are missing an MPI or UCX library file, as is witnessed in the CI (when compiling with MPICH). It's generally irksome too to trigger an execution of the test binary (which itself initialises QuEST) during build when on a HPC platform with distinct submit and compute nodes * Enable user to take ownership of MPI (#722) * Added ENABLE_SUBCOMM build option * Moved from MPI_COMM_WORLD to mpiQuestComm * Decided passing *MPI_Comm was probably overly cautious, and updated function name to comm_getMpiComm * environment.cpp: added methods to reset rank and numNodes, and reporting for subcomm compiled * comm_config.hpp/cpp: added comm_setMpiComm * CMakeLists.txt: PUBLIC MPI::MPI_CXX turned out to be unhelpful, even for SubComm, because of course it enforces CXX * Added new custom QuESTEnv initialiser which allow user to positively declare that they take ownership of MPI * validation.cpp: updated comm_end call * comm_config.hpp: added config.h include so COMPILE_MPI is actually defined * subcommunicator.h/cpp: implemented QuESTEnv initialiser with custom MPI_Comm * CMake: added subcommunicator.cpp * comm_config.hpp: added missing config.h include... * comm_config.cpp: explicitly initialise mpiCommQuest to MPI_COMM_NULL, updated setComm for init only workflow * quest.h: added subcommunicator header * CMake: added MPI to application binaries when SUBCOMM is enabled * comm_routines.cpp: post Irecv before Isend which probably won't do anything but it makes MPI library implementers less nervous * tests: added new env test for initCustomMpiQuESTEnv * Added error throws to comm_config to cover new scenarios of badness with user owned MPI * subcommunicator.cpp: updated var names to match QuEST style * tests/unit/initialisations.cpp: slightly modified setQuregAmps test to avoid unexpected test failure due to range checking when compild in Debug configuration * Updated validation in comm_setMpiComm Co-authored-by: iarejula-bsc <inigo.arejula@bsc.es> * userOwnsMpi int->bool * comm_config.cpp: corrected call to MPI_Comm_free * subcommunicator.cpp: userOwnsMpi int->bool * subcommunicator.cpp: added comm_isInit guard around comm_setMpiComm * environment.cpp: USER_OWNS_MPI -> userOwnsMpi * comm_init: fixed case where useDistrib = 0 and userOwnsMpi = true * comm_init: moved (recently) misplaced MPI_Init * AUTHORS.txt: added iarejula-bsc * Added placeholder docstrings to new initialisers * docs/cmake.md: added ENABLE_SUBCOMM to list of QuEST CMake vars * Newly added COMPILE_MPI -> QUEST_COMPILE_MPI * ENABLE_SUBCOMM -> QUEST_ENABLE_SUBCOMM * CMake: corrected OpenMP and subcommunicator pre-processor definitions --------- Co-authored-by: Oliver Thomson Brown <8394906+otbrown@users.noreply.github.com> Co-authored-by: iarejula-bsc <inigo.arejula@bsc.es> * Add flush and sync around prints (#763) to reduce the likelihood of users printing from non-root nodes interrupting QuEST root output. This is not bullet-proof; we sync the active communicator rather than MPI_COMM_WORLD so the user-controlled non-participating processes may still be printing. Furthermore, even if all processes participate, some may have outstanding non-root prints that are not aggregated to the user screen by the time MPI_Barrier finishes. But these syncs greatly reduce the change of corruption, and are effectively free! * Add GPU-aware MPICH detection This enables CRAY MPICH platforms to leverage GPU-awareness, greatly accelerating distributed GPU simulation Co-authored-by: JPRichings <james.richings@ed.ac.uk> * Cleanup custom MPI flow (#762) Important changes: - permit user initialisation of MPI when QuEST is not distributed - changed QuESTEnv fields bool from int (e.g. isMultithreaded) - add user-input validation for custom MPI calls - disambiguated comm_config.cpp concepts of "MPI is initialised" (comm_isMpiInit) from "QuEST communication is active" (comm_isActive) - refactored comm_config.cpp flow, especially related to pre-quest-init flow (during validation) - added Oliver's custom-MPI examples (from #712) - moved new API functions to experimental.h - tweaked reportQuESTEnv output grouping * Added user-control of GPU num threads per block (#736) Added: - QUEST_DEFAULT_NUM_GPU_THREADS_PER_BLOCK CMake option - QUEST_DEFAULT_NUM_GPU_THREADS_PER_BLOCK environment variable - setQuESTNumGpuThreadsPerBlock() API function - getQuESTNumGpuThreadsPerBlock() API function - set_num_gpu_threads examples in examples/extended --------- Co-authored-by: Oliver Thomson Brown <8394906+otbrown@users.noreply.github.com> Co-authored-by: Tyson Jones <tyson.jones.input@gmail.com> * Fix compiler warnings (#770) Beware this included removing the superfluous `numControls` argument from the C++only `std::vector` overload of `applyMultiStateControlledCompMatr2`, which is technically a teeny tiny API break ¯\_(ツ)_/¯ * tests/unit/debug.cpp: updated setQuESTSeeds validation tests to include new validation (#771) Updated number of seeds test to use a valid pointer and added a separate NULL pointer test. * Fix Windows CI test_free.yml: added Release config to ctest commands (#773) --------- Co-authored-by: D-Exposito <dexposito@cesga.es> Co-authored-by: Oliver Thomson Brown <8394906+otbrown@users.noreply.github.com> Co-authored-by: Tyson Jones <tyson.jones.input@gmail.com> Co-authored-by: iarejula-bsc <inigo.arejula@bsc.es> Co-authored-by: JPRichings <james.richings@ed.ac.uk>
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Resolves #715