diff --git a/.ci-scripts/build_and_test.sh b/.ci-scripts/build_and_test.sh index c126592d..db795fd8 100755 --- a/.ci-scripts/build_and_test.sh +++ b/.ci-scripts/build_and_test.sh @@ -29,6 +29,7 @@ use_dev_shm=${USE_DEV_SHM:-true} spack_debug=${SPACK_DEBUG:-false} debug_mode=${DEBUG_MODE:-false} push_to_registry=${PUSH_TO_REGISTRY:-true} +performance_tests=${PERFORMANCE_TESTS:-false} # REGISTRY_TOKEN allows you to provide your own personal access token to the CI # registry. Be sure to set the token with at least read access to the registry. @@ -223,7 +224,7 @@ then fi # Test -if [[ "${option}" != "--build-only" ]] +if [[ "${option}" != "--build-only" && "${performance_tests}" != "true" ]] then if [[ ! -d ${build_dir} ]] @@ -262,11 +263,32 @@ then timed_message "Run regression tests" mpi_exe=$(grep 'MPIEXEC_EXECUTABLE' "${hostconfig_path}" | cut -d'"' -f2 | sed 's/;/ /g') - pytest -v -s regression_tests --mpi-exec="${mpi_exe}" + pytest -v -s tests/regression --mpi-exec="${mpi_exe}" timed_message "Quandary tests completed" fi +# Performance tests +if [[ "${option}" != "--build-only" && "${performance_tests}" == "true" ]] +then + + cd ${project_dir} + + timed_message "Performance tests for Quandary" + + timed_message "Install python test dependencies" + + eval `${spack_cmd} env activate ${spack_env_path} --sh` + python -m pip install -e . --prefer-binary + + timed_message "Run performance tests" + + mpi_exe=$(grep 'MPIEXEC_EXECUTABLE' "${hostconfig_path}" | cut -d'"' -f2 | sed 's/;/ /g') + pytest -v -s tests/performance --mpi-exec="${mpi_exe}" --benchmark-json=benchmark_results.json + + timed_message "Quandary performance tests completed" +fi + cd ${project_dir} timed_message "Build and test completed" diff --git a/.github/workflows/benchmark.yml b/.github/workflows/benchmark.yml new file mode 100644 index 00000000..4cd30f6b --- /dev/null +++ b/.github/workflows/benchmark.yml @@ -0,0 +1,65 @@ +name: Process Benchmark + +on: + workflow_dispatch: + inputs: + benchmark_data: + description: 'Base64 encoded benchmark data' + required: true + +jobs: + store-and-visualize: + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v3 + + - name: Find associated PR + id: findpr + run: | + PR_NUMBER=$(gh pr list --head ${{ github.ref_name }} --json number -q '.[0].number') + echo "pr_number=$PR_NUMBER" >> $GITHUB_OUTPUT + env: + GH_TOKEN: ${{ secrets.GITHUB_TOKEN }} + + - name: Decode benchmark data + run: echo "${{ github.event.inputs.benchmark_data }}" | base64 -d > pytest_benchmark.json + + - name: Set up Python + uses: actions/setup-python@v4 + with: + python-version: '3.10' + + - name: Convert benchmark format + run: | + python tests/performance/convert_benchmark_format.py pytest_benchmark.json benchmark.json + + - name: Store benchmark result + id: benchmark + continue-on-error: true + uses: benchmark-action/github-action-benchmark@v1 + with: + tool: 'customSmallerIsBetter' + output-file-path: benchmark.json + github-token: ${{ secrets.GITHUB_TOKEN }} + auto-push: ${{ github.ref == 'refs/heads/main' }} + gh-pages-branch: gh-pages + benchmark-data-dir-path: dev/bench + comment-on-alert: true + fail-on-alert: true + alert-threshold: '120%' + max-items-in-chart: 100 + + - name: Create Check for PRs + if: steps.findpr.outputs.pr_number != '' + uses: LouisBrunner/checks-action@v1.6.1 + with: + token: ${{ secrets.GITHUB_TOKEN }} + name: Performance Benchmark + sha: ${{ github.sha }} + conclusion: ${{ steps.benchmark.outcome == 'success' && 'success' || 'failure' }} + output: | + {"summary": "${{ steps.benchmark.outcome == 'success' && 'Performance check passed' || 'Performance regression detected!' }}"} + + - name: Final status + if: steps.benchmark.outcome != 'success' + run: exit 1 diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index d26e1c16..f244fc77 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -41,7 +41,7 @@ jobs: run: | spack env activate .spack_env python -m pip install -e . --prefer-binary - pytest -v -s regression_tests --mpi-opt="--oversubscribe" + pytest -v -s tests/regression --mpi-opt="--oversubscribe" - name: Push packages and update index env: diff --git a/.gitignore b/.gitignore index 64133cbe..8abb3e09 100644 --- a/.gitignore +++ b/.gitignore @@ -15,3 +15,4 @@ __pycache__ run_dir/ .spack_env/.spack-env/ .spack_env/spack.lock +.benchmarks/ diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 521ba015..531258fe 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -65,6 +65,7 @@ variables: stages: - prerequisites - build-and-test + - perf-test # Template for jobs triggering a build-and-test sub-pipeline: .build-and-test: @@ -81,6 +82,19 @@ stages: forward: pipeline_variables: true +.performance-test: + stage: perf-test + trigger: + include: + - local: '.gitlab/custom-jobs-and-variables.yml' + - project: 'radiuss/radiuss-shared-ci' + ref: 'v2024.07.0' + file: 'pipelines/${CI_MACHINE}.yml' + - local: '.gitlab/jobs/ruby-performance.yml' + strategy: depend + forward: + pipeline_variables: true + include: # Sets ID tokens for every job using `default:` - project: 'lc-templates/id_tokens' diff --git a/.gitlab/custom-jobs-and-variables.yml b/.gitlab/custom-jobs-and-variables.yml index 58cdd68c..d6f3f7af 100644 --- a/.gitlab/custom-jobs-and-variables.yml +++ b/.gitlab/custom-jobs-and-variables.yml @@ -49,6 +49,24 @@ variables: reports: junit: junit.xml +.performance_job: + artifacts: + paths: + - benchmark_results.json + after_script: + - | + if [ -f "benchmark_results.json" ]; then + echo "Sending benchmark results to GitHub..." + BENCHMARK_DATA=$(base64 -w 0 benchmark_results.json) + curl -X POST \ + -H "Authorization: token $GITHUB_TOKEN" \ + -H "Accept: application/vnd.github.v3+json" \ + https://api.github.com/repos/${GITHUB_PROJECT_ORG}/${GITHUB_PROJECT_NAME}/actions/workflows/benchmark.yml/dispatches \ + -d "{\"ref\":\"${CI_COMMIT_REF_NAME}\",\"inputs\":{\"benchmark_data\":\"$BENCHMARK_DATA\"}}" + else + echo "benchmark_results.json not found, skipping GitHub API integration." + fi + .reproducer_vars: script: - | diff --git a/.gitlab/jobs/ruby-performance.yml b/.gitlab/jobs/ruby-performance.yml new file mode 100644 index 00000000..58c6f4af --- /dev/null +++ b/.gitlab/jobs/ruby-performance.yml @@ -0,0 +1,18 @@ +############################################################################### +# Copyright (c) 2022-23, Lawrence Livermore National Security, LLC and RADIUSS +# project contributors. See the COPYRIGHT file for details. +# +# SPDX-License-Identifier: (MIT) +############################################################################### + +.performance_base_job: + extends: + - .job_on_ruby + - .performance_job + variables: + PERFORMANCE_TESTS: "true" + +clang_14_0_6: + extends: .performance_base_job + variables: + SPEC: "${PROJECT_RUBY_VARIANTS} %clang@=14.0.6 ${PROJECT_RUBY_DEPS}" diff --git a/.gitlab/subscribed-pipelines.yml b/.gitlab/subscribed-pipelines.yml index 131a43bc..4fbae929 100644 --- a/.gitlab/subscribed-pipelines.yml +++ b/.gitlab/subscribed-pipelines.yml @@ -82,4 +82,8 @@ lassen-build-and-test: needs: [lassen-up-check, generate-job-lists] extends: [.build-and-test] - +# PERFORMANCE +ruby-performance-test: + variables: + CI_MACHINE: "ruby" + extends: [.performance-test] diff --git a/README.md b/README.md index ade84693..8e326366 100644 --- a/README.md +++ b/README.md @@ -126,11 +126,16 @@ The `examples/pythoninterface` folder exemplifies the usage of Quandary's Python # Tests ## Regression tests -Regression tests are defined in `regression_tests/` and can be run with +Regression tests are defined in `tests/regression` and can be run with ``` -pytest +pytest tests/regression ``` -See regression_tests/README.md for more information. +See `tests/regression/README.md` for more information. + +## Performance tests +Performance regression tests are defined in `tests/performance`. +The latest results from `main` are shown on this [performance dashboard](https://software.llnl.gov/quandary/dev/bench/). +See `tests/performance/README.md` for more information. # Community and Contributing diff --git a/doc/user_guide.pdf b/doc/user_guide.pdf index 45fbd6b5..ba131ec0 100644 Binary files a/doc/user_guide.pdf and b/doc/user_guide.pdf differ diff --git a/doc/user_guide.tex b/doc/user_guide.tex index f6224627..79d95923 100644 --- a/doc/user_guide.tex +++ b/doc/user_guide.tex @@ -782,7 +782,7 @@ \subsection{Plotting} \section{Testing} \begin{itemize} - \item Quandary has a set of regression tests. Please take a look at the \verb+regression_tests/README.md+ document for instructions on how to run the regression tests. + \item Quandary has a set of regression tests. Please take a look at the \verb+tests/regression/README.md+ document for instructions on how to run the regression tests. \item In order to check if the gradient implementation is correct, one can choose to run a Central Finite Difference test. Let the overall objective function be denoted by $F(\boldsymbol{\alpha})$. The Central Finite Difference test compares each element of the gradient $\nabla F(\boldsymbol{\alpha})$ with the following (second-order accurate) estimate: \begin{align*} \left(\nabla F(\boldsymbol{\alpha}) \right)_i \approx \frac{F(\bfa + \epsilon\bs{e}_i) - F(\bfa - \epsilon\bs{e}_i)}{2\epsilon} \qquad \qquad \text{(CFD)} diff --git a/pyproject.toml b/pyproject.toml index c72595ae..d242d082 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -13,7 +13,8 @@ dependencies = [ "matplotlib (>=3.9.0,<4.0.0)", "pytest (>=8.3.4,<9.0.0)", "pandas (>=2.2.3,<3.0.0)", - "pydantic (>=2.10.6,<3.0.0)" + "pydantic (>=2.10.6,<3.0.0)", + "pytest-benchmark (>=5.1.0,<6.0.0)" ] diff --git a/src/main.cpp b/src/main.cpp index 331f282a..14be7aa7 100644 --- a/src/main.cpp +++ b/src/main.cpp @@ -469,7 +469,14 @@ int main(int argc,char **argv) /* Get memory usage */ struct rusage r_usage; getrusage(RUSAGE_SELF, &r_usage); - double myMB = (double)r_usage.ru_maxrss / 1024.0; + double myMB; + #ifdef __APPLE__ + // On macOS, ru_maxrss is in bytes + myMB = (double)r_usage.ru_maxrss / (1024.0 * 1024.0); + #else + // On Linux, ru_maxrss is in kilobytes + myMB = (double)r_usage.ru_maxrss / 1024.0; + #endif double globalMB = myMB; MPI_Allreduce(&myMB, &globalMB, 1, MPI_DOUBLE, MPI_SUM, MPI_COMM_WORLD); @@ -479,7 +486,6 @@ int main(int argc,char **argv) printf(" Used Time: %.2f seconds\n", UsedTime); printf(" Processors used: %d\n", mpisize_world); printf(" Global Memory: %.2f MB [~ %.2f MB per proc]\n", globalMB, globalMB / mpisize_world); - printf(" [NOTE: The memory unit is platform dependent. If you run on MacOS, the unit will likely be KB instead of MB.]\n"); printf("\n"); } // printf("Rank %d: %.2fMB\n", mpirank_world, myMB ); diff --git a/regression_tests/conftest.py b/tests/conftest.py similarity index 68% rename from regression_tests/conftest.py rename to tests/conftest.py index f95ddf49..838d6e98 100644 --- a/regression_tests/conftest.py +++ b/tests/conftest.py @@ -1,11 +1,8 @@ -def pytest_addoption(parser): - parser.addoption( - "--exact", - action="store_true", - default=False, - help="Use exact comparison for floating point numbers" - ) +"""Common pytest configuration.""" + +def pytest_addoption(parser): + """Add common command line options to pytest.""" parser.addoption( "--mpi-exec", action="store", diff --git a/tests/performance/.gitignore b/tests/performance/.gitignore new file mode 100644 index 00000000..51f84517 --- /dev/null +++ b/tests/performance/.gitignore @@ -0,0 +1,3 @@ +results/ +data_out/ +__pycache__ diff --git a/tests/performance/README.md b/tests/performance/README.md new file mode 100644 index 00000000..093ab847 --- /dev/null +++ b/tests/performance/README.md @@ -0,0 +1,44 @@ +# Performance Regression Test Documentation + +These tests are run with `pytest` and the pytest-benchmark plugin. + +To run tests from base directory: +``` +pytest tests/performance/ +``` +Or from current directory: +``` +pytest +``` + +## Useful options: + +- `pytest -v` will print the names of the tests being run + +- `pytest -s` will print output to screen + +- `pytest -k "myConfig_4"` runs only the test with name "myConfig" and with 4 processes + +See `pytest --help` for more options. + +## Local performance measurement +To save performance data from a run do: +``` +pytest -s -k "test_of_interest_4" --benchmark-autosave +``` +This saves results to the `.benchmarks` directory. + +To compare a current run to the previous run do: +``` +pytest -s -k "test_of_interest_4" --benchmark-compare +``` + +For more options, see pytest-benchmark [documentation](https://pytest-benchmark.readthedocs.io/en/stable/comparing.html). + +## How to add a test + +1. Create a config file in the `configs` directory, e.g., `tests/performance/configs/newSimulation.cfg` +2. Add new entry to test_cases.json: + - The `simulation_name` should be the new simulation name, e.g. `newSimulation`. + - The `number_of_processes` is an array of integers. For each integer `i`, a simulation will be run with `mpirun -n ${i}`. + - The `repetitions` is the number of times to run this test and to average the timings over. diff --git a/tests/performance/configs/nlevels_32_32_32_32.cfg b/tests/performance/configs/nlevels_32_32_32_32.cfg new file mode 100644 index 00000000..ab12bc5b --- /dev/null +++ b/tests/performance/configs/nlevels_32_32_32_32.cfg @@ -0,0 +1,58 @@ +nlevels = 32, 32, 32, 32 +ntime = 50 +dt = 0.01 +transfreq = 4.1, 4.2, 4.3, 4.4 +selfkerr = 0.2, 0.2, 0.2, 0.2 +crosskerr = 0.001, 0.001, 0.001, 0.001, 0.001, 0.001 +Jkl = 0.001, 0.001, 0.001, 0.001, 0.001, 0.001 +rotfreq = 4.1, 4.2, 4.3, 4.4 +collapse_type = none +decay_time = 0.0, 0.0, 0.0, 0.0 +dephase_time = 0.0, 0.0, 0.0, 0.0 +initialcondition = pure, 1, 0, 0, 0 +control_segments0 = spline, 15 +control_segments1 = spline, 15 +control_segments2 = spline, 15 +control_segments3 = spline, 15 +control_enforceBC=false +control_initialization0 = constant, 0.005 +control_initialization1 = constant, 0.005 +control_initialization2 = constant, 0.005 +control_initialization3 = constant, 0.005 +control_bounds0 = 0.008 +control_bounds1 = 0.008 +control_bounds2 = 0.008 +control_bounds3 = 0.008 +carrier_frequency0 = 0.0, -0.2, -0.001 +carrier_frequency1 = 0.0, -0.2, -0.001 +carrier_frequency2 = 0.0, -0.2, -0.001 +carrier_frequency3 = 0.0, -0.2, -0.001 +optim_target = gate, cqnot +optim_target = pure, 0, 0, 0, 0 +optim_objective = Jtrace +optim_weights = 1.0 +optim_atol = 1e-7 +optim_rtol = 1e-8 +optim_ftol = 1e-5 +optim_inftol = 1e-5 +optim_maxiter = 200 +optim_regul = 0.00001 +optim_penalty = 0.0 +optim_penalty_param = 0.0 +optim_penalty_dpdm = 0.0 +optim_penalty_energy= 0.0 +optim_penalty_variation= 0.0 +optim_regul_tik0=false +datadir = ./data_out +output0 = none +output1 = none +output2 = none +output3 = none +output_frequency = 1 +optim_monitor_frequency = 1 +runtype = simulation +usematfree = false +linearsolver_type = gmres +linearsolver_maxiter = 20 +timestepper = IMR +rand_seed = 1234 diff --git a/tests/performance/configs/nlevels_4_4_4_4.cfg b/tests/performance/configs/nlevels_4_4_4_4.cfg new file mode 100644 index 00000000..d296fb2f --- /dev/null +++ b/tests/performance/configs/nlevels_4_4_4_4.cfg @@ -0,0 +1,58 @@ +nlevels = 4, 4, 4, 4 +ntime = 500 +dt = 0.01 +transfreq = 4.1, 4.2, 4.3, 4.4 +selfkerr = 0.2, 0.2, 0.2, 0.2 +crosskerr = 0.001, 0.001, 0.001, 0.001, 0.001, 0.001 +Jkl = 0.001, 0.001, 0.001, 0.001, 0.001, 0.001 +rotfreq = 4.1, 4.2, 4.3, 4.4 +collapse_type = none +decay_time = 0.0, 0.0, 0.0, 0.0 +dephase_time = 0.0, 0.0, 0.0, 0.0 +initialcondition = pure, 1, 0, 0, 0 +control_segments0 = spline, 15 +control_segments1 = spline, 15 +control_segments2 = spline, 15 +control_segments3 = spline, 15 +control_enforceBC=false +control_initialization0 = constant, 0.005 +control_initialization1 = constant, 0.005 +control_initialization2 = constant, 0.005 +control_initialization3 = constant, 0.005 +control_bounds0 = 0.008 +control_bounds1 = 0.008 +control_bounds2 = 0.008 +control_bounds3 = 0.008 +carrier_frequency0 = 0.0, -0.2, -0.001 +carrier_frequency1 = 0.0, -0.2, -0.001 +carrier_frequency2 = 0.0, -0.2, -0.001 +carrier_frequency3 = 0.0, -0.2, -0.001 +optim_target = gate, cqnot +optim_target = pure, 0, 0, 0, 0 +optim_objective = Jtrace +optim_weights = 1.0 +optim_atol = 1e-7 +optim_rtol = 1e-8 +optim_ftol = 1e-5 +optim_inftol = 1e-5 +optim_maxiter = 200 +optim_regul = 0.00001 +optim_penalty = 0.0 +optim_penalty_param = 0.0 +optim_penalty_dpdm = 0.0 +optim_penalty_energy= 0.0 +optim_penalty_variation= 0.0 +optim_regul_tik0=false +datadir = ./data_out +output0 = none +output1 = none +output2 = none +output3 = none +output_frequency = 1 +optim_monitor_frequency = 1 +runtype = simulation +usematfree = false +linearsolver_type = gmres +linearsolver_maxiter = 20 +timestepper = IMR +rand_seed = 1234 diff --git a/tests/performance/convert_benchmark_format.py b/tests/performance/convert_benchmark_format.py new file mode 100755 index 00000000..29fa846f --- /dev/null +++ b/tests/performance/convert_benchmark_format.py @@ -0,0 +1,70 @@ +#!/usr/bin/env python3 +""" +Convert pytest-benchmark JSON format to customSmallerIsBetter format +with separate entries for time and memory metrics. +""" + +import argparse +import json +import sys +from typing import Dict, List, Any + + +def convert_to_custom_format(pytest_data: Dict[str, Any]) -> List[Dict[str, Any]]: + """ + Convert pytest-benchmark JSON data to customSmallerIsBetter format. + Creates separate entries for time and memory metrics. + """ + custom_benchmarks = [] + + for benchmark in pytest_data.get("benchmarks", []): + name = benchmark.get("name", "") + + # Time benchmark entry + time_value = benchmark.get("stats", {}).get("mean", 0) + time_stddev = benchmark.get("stats", {}).get("stddev", 0) + custom_benchmarks.append({ + "name": f"{name} - Time", + "value": time_value, + "unit": "seconds", + "range": str(time_stddev), + }) + + # Memory benchmark entry (from extra_info) + memory_mb = benchmark.get("extra_info", {}).get("memory_mb", 0) + custom_benchmarks.append({ + "name": f"{name} - Memory", + "value": memory_mb, + "unit": "MB", + }) + + return custom_benchmarks + + +def main(): + parser = argparse.ArgumentParser( + description="Convert pytest-benchmark JSON to customSmallerIsBetter format" + ) + parser.add_argument("input_file", help="Input JSON file (pytest-benchmark format)") + parser.add_argument("output_file", help="Output JSON file (customSmallerIsBetter format)") + + args = parser.parse_args() + + try: + with open(args.input_file, "r") as f: + pytest_data = json.load(f) + + custom_data = convert_to_custom_format(pytest_data) + + with open(args.output_file, "w") as f: + json.dump(custom_data, f, indent=2) + + print(f"Successfully converted {args.input_file} to {args.output_file}") + + except Exception as e: + print(f"Error converting benchmark format: {e}", file=sys.stderr) + sys.exit(1) + + +if __name__ == "__main__": + main() diff --git a/tests/performance/performance_test.py b/tests/performance/performance_test.py new file mode 100644 index 00000000..40b726a5 --- /dev/null +++ b/tests/performance/performance_test.py @@ -0,0 +1,94 @@ +import os +import re +import subprocess +from typing import List + +import pytest +from pydantic import BaseModel, TypeAdapter +from tests.utils.common import build_mpi_command + +TEST_PATH = os.path.dirname(os.path.realpath(__file__)) +TEST_CASES_PATH = os.path.join(TEST_PATH, "test_cases.json") +TEST_CONFIG_PATH = os.path.join(TEST_PATH, "configs") +QUANDARY_PATH = os.path.join(TEST_PATH, "..", "..", "quandary") + + +def pytest_benchmark_configure(config): + config.option.benchmark_disable_gc = True + config.option.benchmark_min_rounds = 1 + + +class Case(BaseModel): + simulation_name: str + number_of_processes: List[int] + repetitions: int + + +def load_test_cases(): + with open(TEST_CASES_PATH) as test_cases_file: + ta = TypeAdapter(List[Case]) + test_cases = ta.validate_json(test_cases_file.read()) + return test_cases + + +TEST_CASES = load_test_cases() + + +def get_parametrize_values(): + """Generate a list of (simulation_name, nproc) tuples for parameterization.""" + params = [] + ids = [] + for test_case in TEST_CASES: + for nproc in test_case.number_of_processes: + params.append((test_case.simulation_name, nproc)) + ids.append(f"{test_case.simulation_name}_nproc_{nproc}") + return params, ids + + +params, ids = get_parametrize_values() + + +def run_quandary(command): + """Helper function to run quandary command and extract metrics""" + result = subprocess.run(command, capture_output=True, text=True, check=True) + assert result.returncode == 0 + + memory_match = re.search(r"Global Memory:\s+([\d.]+) MB", result.stdout) + memory = float(memory_match.group(1)) if memory_match else 0 + return memory + + +@pytest.mark.parametrize( + "simulation_name,number_of_processes", + params, + ids=ids +) +def test_eval(benchmark, simulation_name, number_of_processes, request): + mpi_exec = request.config.getoption("--mpi-exec") + mpi_opt = request.config.getoption("--mpi-opt") + + repetitions = next( + (tc.repetitions for tc in TEST_CASES if tc.simulation_name == simulation_name), + 1 + ) + + config_file = os.path.join(TEST_CONFIG_PATH, simulation_name + ".cfg") + + command = build_mpi_command( + mpi_exec=mpi_exec, + num_processes=number_of_processes, + mpi_opt=mpi_opt, + quandary_path=QUANDARY_PATH, + config_file=config_file) + print(f"Running command: \"{' '.join(command)}\"") + + memory = benchmark.pedantic( + run_quandary, + args=(command,), + rounds=repetitions, + iterations=1 + ) + print(f"{memory=} MB") + + benchmark.extra_info['number_of_processors'] = number_of_processes + benchmark.extra_info['memory_mb'] = memory diff --git a/tests/performance/test_cases.json b/tests/performance/test_cases.json new file mode 100644 index 00000000..1c689f11 --- /dev/null +++ b/tests/performance/test_cases.json @@ -0,0 +1,16 @@ +[ + { + "simulation_name": "nlevels_4_4_4_4", + "number_of_processes": [ + 2 + ], + "repetitions": 200 + }, + { + "simulation_name": "nlevels_32_32_32_32", + "number_of_processes": [ + 32 + ], + "repetitions": 5 + } +] diff --git a/regression_tests/.gitignore b/tests/regression/.gitignore similarity index 100% rename from regression_tests/.gitignore rename to tests/regression/.gitignore diff --git a/regression_tests/AxC/AxC.cfg b/tests/regression/AxC/AxC.cfg similarity index 100% rename from regression_tests/AxC/AxC.cfg rename to tests/regression/AxC/AxC.cfg diff --git a/regression_tests/AxC/base/expected0.iinit0000.dat b/tests/regression/AxC/base/expected0.iinit0000.dat similarity index 100% rename from regression_tests/AxC/base/expected0.iinit0000.dat rename to tests/regression/AxC/base/expected0.iinit0000.dat diff --git a/regression_tests/AxC/base/expected1.iinit0000.dat b/tests/regression/AxC/base/expected1.iinit0000.dat similarity index 100% rename from regression_tests/AxC/base/expected1.iinit0000.dat rename to tests/regression/AxC/base/expected1.iinit0000.dat diff --git a/regression_tests/AxC/base/optim_history.dat b/tests/regression/AxC/base/optim_history.dat similarity index 100% rename from regression_tests/AxC/base/optim_history.dat rename to tests/regression/AxC/base/optim_history.dat diff --git a/regression_tests/AxC/base/population0.iinit0000.dat b/tests/regression/AxC/base/population0.iinit0000.dat similarity index 100% rename from regression_tests/AxC/base/population0.iinit0000.dat rename to tests/regression/AxC/base/population0.iinit0000.dat diff --git a/regression_tests/AxC/base/population1.iinit0000.dat b/tests/regression/AxC/base/population1.iinit0000.dat similarity index 100% rename from regression_tests/AxC/base/population1.iinit0000.dat rename to tests/regression/AxC/base/population1.iinit0000.dat diff --git a/regression_tests/AxC/base/rho_Im.iinit0000.dat b/tests/regression/AxC/base/rho_Im.iinit0000.dat similarity index 100% rename from regression_tests/AxC/base/rho_Im.iinit0000.dat rename to tests/regression/AxC/base/rho_Im.iinit0000.dat diff --git a/regression_tests/AxC/base/rho_Re.iinit0000.dat b/tests/regression/AxC/base/rho_Re.iinit0000.dat similarity index 100% rename from regression_tests/AxC/base/rho_Re.iinit0000.dat rename to tests/regression/AxC/base/rho_Re.iinit0000.dat diff --git a/regression_tests/AxC_grad/AxC_grad.cfg b/tests/regression/AxC_grad/AxC_grad.cfg similarity index 100% rename from regression_tests/AxC_grad/AxC_grad.cfg rename to tests/regression/AxC_grad/AxC_grad.cfg diff --git a/regression_tests/AxC_grad_initBasis0/AxC_grad_initBasis0.cfg b/tests/regression/AxC_grad_initBasis0/AxC_grad_initBasis0.cfg similarity index 100% rename from regression_tests/AxC_grad_initBasis0/AxC_grad_initBasis0.cfg rename to tests/regression/AxC_grad_initBasis0/AxC_grad_initBasis0.cfg diff --git a/regression_tests/AxC_grad_initBasis0/base/expected0.iinit0000.dat b/tests/regression/AxC_grad_initBasis0/base/expected0.iinit0000.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected0.iinit0000.dat rename to tests/regression/AxC_grad_initBasis0/base/expected0.iinit0000.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected0.iinit0001.dat b/tests/regression/AxC_grad_initBasis0/base/expected0.iinit0001.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected0.iinit0001.dat rename to tests/regression/AxC_grad_initBasis0/base/expected0.iinit0001.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected0.iinit0002.dat b/tests/regression/AxC_grad_initBasis0/base/expected0.iinit0002.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected0.iinit0002.dat rename to tests/regression/AxC_grad_initBasis0/base/expected0.iinit0002.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected0.iinit0003.dat b/tests/regression/AxC_grad_initBasis0/base/expected0.iinit0003.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected0.iinit0003.dat rename to tests/regression/AxC_grad_initBasis0/base/expected0.iinit0003.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected0.iinit0004.dat b/tests/regression/AxC_grad_initBasis0/base/expected0.iinit0004.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected0.iinit0004.dat rename to tests/regression/AxC_grad_initBasis0/base/expected0.iinit0004.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected0.iinit0005.dat b/tests/regression/AxC_grad_initBasis0/base/expected0.iinit0005.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected0.iinit0005.dat rename to tests/regression/AxC_grad_initBasis0/base/expected0.iinit0005.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected0.iinit0006.dat b/tests/regression/AxC_grad_initBasis0/base/expected0.iinit0006.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected0.iinit0006.dat rename to tests/regression/AxC_grad_initBasis0/base/expected0.iinit0006.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected0.iinit0007.dat b/tests/regression/AxC_grad_initBasis0/base/expected0.iinit0007.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected0.iinit0007.dat rename to tests/regression/AxC_grad_initBasis0/base/expected0.iinit0007.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected0.iinit0008.dat b/tests/regression/AxC_grad_initBasis0/base/expected0.iinit0008.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected0.iinit0008.dat rename to tests/regression/AxC_grad_initBasis0/base/expected0.iinit0008.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected1.iinit0000.dat b/tests/regression/AxC_grad_initBasis0/base/expected1.iinit0000.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected1.iinit0000.dat rename to tests/regression/AxC_grad_initBasis0/base/expected1.iinit0000.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected1.iinit0001.dat b/tests/regression/AxC_grad_initBasis0/base/expected1.iinit0001.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected1.iinit0001.dat rename to tests/regression/AxC_grad_initBasis0/base/expected1.iinit0001.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected1.iinit0002.dat b/tests/regression/AxC_grad_initBasis0/base/expected1.iinit0002.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected1.iinit0002.dat rename to tests/regression/AxC_grad_initBasis0/base/expected1.iinit0002.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected1.iinit0003.dat b/tests/regression/AxC_grad_initBasis0/base/expected1.iinit0003.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected1.iinit0003.dat rename to tests/regression/AxC_grad_initBasis0/base/expected1.iinit0003.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected1.iinit0004.dat b/tests/regression/AxC_grad_initBasis0/base/expected1.iinit0004.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected1.iinit0004.dat rename to tests/regression/AxC_grad_initBasis0/base/expected1.iinit0004.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected1.iinit0005.dat b/tests/regression/AxC_grad_initBasis0/base/expected1.iinit0005.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected1.iinit0005.dat rename to tests/regression/AxC_grad_initBasis0/base/expected1.iinit0005.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected1.iinit0006.dat b/tests/regression/AxC_grad_initBasis0/base/expected1.iinit0006.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected1.iinit0006.dat rename to tests/regression/AxC_grad_initBasis0/base/expected1.iinit0006.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected1.iinit0007.dat b/tests/regression/AxC_grad_initBasis0/base/expected1.iinit0007.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected1.iinit0007.dat rename to tests/regression/AxC_grad_initBasis0/base/expected1.iinit0007.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/expected1.iinit0008.dat b/tests/regression/AxC_grad_initBasis0/base/expected1.iinit0008.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/expected1.iinit0008.dat rename to tests/regression/AxC_grad_initBasis0/base/expected1.iinit0008.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/grad.dat b/tests/regression/AxC_grad_initBasis0/base/grad.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/grad.dat rename to tests/regression/AxC_grad_initBasis0/base/grad.dat diff --git a/regression_tests/AxC_grad_initBasis0/base/optim_history.dat b/tests/regression/AxC_grad_initBasis0/base/optim_history.dat similarity index 100% rename from regression_tests/AxC_grad_initBasis0/base/optim_history.dat rename to tests/regression/AxC_grad_initBasis0/base/optim_history.dat diff --git a/regression_tests/AxC_grad_schroedinger/AxC_grad_schroedinger.cfg b/tests/regression/AxC_grad_schroedinger/AxC_grad_schroedinger.cfg similarity index 100% rename from regression_tests/AxC_grad_schroedinger/AxC_grad_schroedinger.cfg rename to tests/regression/AxC_grad_schroedinger/AxC_grad_schroedinger.cfg diff --git a/regression_tests/AxC_grad_schroedinger/base/grad.dat b/tests/regression/AxC_grad_schroedinger/base/grad.dat similarity index 100% rename from regression_tests/AxC_grad_schroedinger/base/grad.dat rename to tests/regression/AxC_grad_schroedinger/base/grad.dat diff --git a/regression_tests/AxC_grad_schroedinger/base/optim_history.dat b/tests/regression/AxC_grad_schroedinger/base/optim_history.dat similarity index 100% rename from regression_tests/AxC_grad_schroedinger/base/optim_history.dat rename to tests/regression/AxC_grad_schroedinger/base/optim_history.dat diff --git a/regression_tests/AxC_grad_schroedinger/base/rho_Im.iinit0000.dat b/tests/regression/AxC_grad_schroedinger/base/rho_Im.iinit0000.dat similarity index 100% rename from regression_tests/AxC_grad_schroedinger/base/rho_Im.iinit0000.dat rename to tests/regression/AxC_grad_schroedinger/base/rho_Im.iinit0000.dat diff --git a/regression_tests/AxC_grad_schroedinger/base/rho_Re.iinit0000.dat b/tests/regression/AxC_grad_schroedinger/base/rho_Re.iinit0000.dat similarity index 100% rename from regression_tests/AxC_grad_schroedinger/base/rho_Re.iinit0000.dat rename to tests/regression/AxC_grad_schroedinger/base/rho_Re.iinit0000.dat diff --git a/regression_tests/AxC_initDiag0/AxC_initDiag0.cfg b/tests/regression/AxC_initDiag0/AxC_initDiag0.cfg similarity index 100% rename from regression_tests/AxC_initDiag0/AxC_initDiag0.cfg rename to tests/regression/AxC_initDiag0/AxC_initDiag0.cfg diff --git a/regression_tests/AxC_initDiag0/base/optim_history.dat b/tests/regression/AxC_initDiag0/base/optim_history.dat similarity index 100% rename from regression_tests/AxC_initDiag0/base/optim_history.dat rename to tests/regression/AxC_initDiag0/base/optim_history.dat diff --git a/regression_tests/AxC_initDiag0/base/rho_Im.iinit0000.dat b/tests/regression/AxC_initDiag0/base/rho_Im.iinit0000.dat similarity index 100% rename from regression_tests/AxC_initDiag0/base/rho_Im.iinit0000.dat rename to tests/regression/AxC_initDiag0/base/rho_Im.iinit0000.dat diff --git a/regression_tests/AxC_initDiag0/base/rho_Im.iinit0004.dat b/tests/regression/AxC_initDiag0/base/rho_Im.iinit0004.dat similarity index 100% rename from regression_tests/AxC_initDiag0/base/rho_Im.iinit0004.dat rename to tests/regression/AxC_initDiag0/base/rho_Im.iinit0004.dat diff --git a/regression_tests/AxC_initDiag0/base/rho_Im.iinit0008.dat b/tests/regression/AxC_initDiag0/base/rho_Im.iinit0008.dat similarity index 100% rename from regression_tests/AxC_initDiag0/base/rho_Im.iinit0008.dat rename to tests/regression/AxC_initDiag0/base/rho_Im.iinit0008.dat diff --git a/regression_tests/AxC_initDiag0/base/rho_Re.iinit0000.dat b/tests/regression/AxC_initDiag0/base/rho_Re.iinit0000.dat similarity index 100% rename from regression_tests/AxC_initDiag0/base/rho_Re.iinit0000.dat rename to tests/regression/AxC_initDiag0/base/rho_Re.iinit0000.dat diff --git a/regression_tests/AxC_initDiag0/base/rho_Re.iinit0004.dat b/tests/regression/AxC_initDiag0/base/rho_Re.iinit0004.dat similarity index 100% rename from regression_tests/AxC_initDiag0/base/rho_Re.iinit0004.dat rename to tests/regression/AxC_initDiag0/base/rho_Re.iinit0004.dat diff --git a/regression_tests/AxC_initDiag0/base/rho_Re.iinit0008.dat b/tests/regression/AxC_initDiag0/base/rho_Re.iinit0008.dat similarity index 100% rename from regression_tests/AxC_initDiag0/base/rho_Re.iinit0008.dat rename to tests/regression/AxC_initDiag0/base/rho_Re.iinit0008.dat diff --git a/regression_tests/AxC_initEnsemble/AxC_initEnsemble.cfg b/tests/regression/AxC_initEnsemble/AxC_initEnsemble.cfg similarity index 100% rename from regression_tests/AxC_initEnsemble/AxC_initEnsemble.cfg rename to tests/regression/AxC_initEnsemble/AxC_initEnsemble.cfg diff --git a/regression_tests/AxC_initEnsemble/base/optim_history.dat b/tests/regression/AxC_initEnsemble/base/optim_history.dat similarity index 100% rename from regression_tests/AxC_initEnsemble/base/optim_history.dat rename to tests/regression/AxC_initEnsemble/base/optim_history.dat diff --git a/regression_tests/AxC_initEnsemble/base/rho_Im.iinit0000.dat b/tests/regression/AxC_initEnsemble/base/rho_Im.iinit0000.dat similarity index 100% rename from regression_tests/AxC_initEnsemble/base/rho_Im.iinit0000.dat rename to tests/regression/AxC_initEnsemble/base/rho_Im.iinit0000.dat diff --git a/regression_tests/AxC_initEnsemble/base/rho_Re.iinit0000.dat b/tests/regression/AxC_initEnsemble/base/rho_Re.iinit0000.dat similarity index 100% rename from regression_tests/AxC_initEnsemble/base/rho_Re.iinit0000.dat rename to tests/regression/AxC_initEnsemble/base/rho_Re.iinit0000.dat diff --git a/regression_tests/AxC_initFile/AxC_initFile.cfg b/tests/regression/AxC_initFile/AxC_initFile.cfg similarity index 100% rename from regression_tests/AxC_initFile/AxC_initFile.cfg rename to tests/regression/AxC_initFile/AxC_initFile.cfg diff --git a/regression_tests/AxC_initFile/alice_sumbasis.dat b/tests/regression/AxC_initFile/alice_sumbasis.dat similarity index 100% rename from regression_tests/AxC_initFile/alice_sumbasis.dat rename to tests/regression/AxC_initFile/alice_sumbasis.dat diff --git a/regression_tests/AxC_initFile/base/optim_history.dat b/tests/regression/AxC_initFile/base/optim_history.dat similarity index 100% rename from regression_tests/AxC_initFile/base/optim_history.dat rename to tests/regression/AxC_initFile/base/optim_history.dat diff --git a/regression_tests/AxC_initFile/base/rho_Im.iinit0000.dat b/tests/regression/AxC_initFile/base/rho_Im.iinit0000.dat similarity index 100% rename from regression_tests/AxC_initFile/base/rho_Im.iinit0000.dat rename to tests/regression/AxC_initFile/base/rho_Im.iinit0000.dat diff --git a/regression_tests/AxC_initFile/base/rho_Re.iinit0000.dat b/tests/regression/AxC_initFile/base/rho_Re.iinit0000.dat similarity index 100% rename from regression_tests/AxC_initFile/base/rho_Re.iinit0000.dat rename to tests/regression/AxC_initFile/base/rho_Re.iinit0000.dat diff --git a/regression_tests/README.md b/tests/regression/README.md similarity index 81% rename from regression_tests/README.md rename to tests/regression/README.md index 799ccbe5..4302ab7b 100644 --- a/regression_tests/README.md +++ b/tests/regression/README.md @@ -1,6 +1,10 @@ # Regression Test Documentation -To run tests (in either base directory or `regression_tests/` directory): +To run regression tests from base directory: +``` +pytest tests/regression +``` +Or from current directory: ``` pytest ``` @@ -17,9 +21,9 @@ See `pytest --help` for more options. ## How to add a test -1. Create an appropriate test directory under tests directory, e.g., `mkdir regression_tests/newSimulation` -2. Create a config file in that directory, e.g., `regression_tests/newSimulation/newSimulation.cfg` -3. Add the expected output files of the simulation that you want to test to the base directory, e.g. `regression_tests/newSimulation/base` +1. Create an appropriate test directory under tests directory, e.g., `mkdir tests/regression/newSimulation` +2. Create a config file in that directory, e.g., `tests/regression/newSimulation/newSimulation.cfg` +3. Add the expected output files of the simulation that you want to test to the base directory, e.g. `tests/regression/newSimulation/base` 4. Add new entry to test_cases.json: - The `simulation_name` should be the new directory name, e.g. `newSimulation`. - The `files_to_compare` should be an array of output files that should be compared to the expected files in the base directory. You can list them individually or use a regex. diff --git a/regression_tests/cnot/base/expected0.iinit0000.dat b/tests/regression/cnot/base/expected0.iinit0000.dat similarity index 100% rename from regression_tests/cnot/base/expected0.iinit0000.dat rename to tests/regression/cnot/base/expected0.iinit0000.dat diff --git a/regression_tests/cnot/base/expected0.iinit0001.dat b/tests/regression/cnot/base/expected0.iinit0001.dat similarity index 100% rename from regression_tests/cnot/base/expected0.iinit0001.dat rename to tests/regression/cnot/base/expected0.iinit0001.dat diff --git a/regression_tests/cnot/base/expected0.iinit0002.dat b/tests/regression/cnot/base/expected0.iinit0002.dat similarity index 100% rename from regression_tests/cnot/base/expected0.iinit0002.dat rename to tests/regression/cnot/base/expected0.iinit0002.dat diff --git a/regression_tests/cnot/base/expected0.iinit0003.dat b/tests/regression/cnot/base/expected0.iinit0003.dat similarity index 100% rename from regression_tests/cnot/base/expected0.iinit0003.dat rename to tests/regression/cnot/base/expected0.iinit0003.dat diff --git a/regression_tests/cnot/base/expected1.iinit0000.dat b/tests/regression/cnot/base/expected1.iinit0000.dat similarity index 100% rename from regression_tests/cnot/base/expected1.iinit0000.dat rename to tests/regression/cnot/base/expected1.iinit0000.dat diff --git a/regression_tests/cnot/base/expected1.iinit0001.dat b/tests/regression/cnot/base/expected1.iinit0001.dat similarity index 100% rename from regression_tests/cnot/base/expected1.iinit0001.dat rename to tests/regression/cnot/base/expected1.iinit0001.dat diff --git a/regression_tests/cnot/base/expected1.iinit0002.dat b/tests/regression/cnot/base/expected1.iinit0002.dat similarity index 100% rename from regression_tests/cnot/base/expected1.iinit0002.dat rename to tests/regression/cnot/base/expected1.iinit0002.dat diff --git a/regression_tests/cnot/base/expected1.iinit0003.dat b/tests/regression/cnot/base/expected1.iinit0003.dat similarity index 100% rename from regression_tests/cnot/base/expected1.iinit0003.dat rename to tests/regression/cnot/base/expected1.iinit0003.dat diff --git a/regression_tests/cnot/base/optim_history.dat b/tests/regression/cnot/base/optim_history.dat similarity index 100% rename from regression_tests/cnot/base/optim_history.dat rename to tests/regression/cnot/base/optim_history.dat diff --git a/regression_tests/cnot/cnot.cfg b/tests/regression/cnot/cnot.cfg similarity index 100% rename from regression_tests/cnot/cnot.cfg rename to tests/regression/cnot/cnot.cfg diff --git a/tests/regression/conftest.py b/tests/regression/conftest.py new file mode 100644 index 00000000..29476581 --- /dev/null +++ b/tests/regression/conftest.py @@ -0,0 +1,11 @@ +"""Regression test configuration for pytest.""" + + +def pytest_addoption(parser): + group = parser.getgroup("regression") + group.addoption( + "--exact", + action="store_true", + default=False, + help="Use exact comparison for floating point numbers" + ) diff --git a/tests/regression/nlevels_4_4_4_4/base/expected0.iinit0000.dat b/tests/regression/nlevels_4_4_4_4/base/expected0.iinit0000.dat new file mode 100644 index 00000000..7b35ade7 --- /dev/null +++ b/tests/regression/nlevels_4_4_4_4/base/expected0.iinit0000.dat @@ -0,0 +1,502 @@ +#"time" "expected energy level" +0.00000000 1.00000000000000e+00 +0.01000000 1.00000176451809e+00 +0.02000000 1.00000705755642e+00 +0.03000000 1.00001587756781e+00 +0.04000000 1.00002822197423e+00 +0.05000000 1.00004408716763e+00 +0.06000000 1.00006346851114e+00 +0.07000000 1.00008636034065e+00 +0.08000000 1.00011275596668e+00 +0.09000000 1.00014264767660e+00 +0.10000000 1.00017602673719e+00 +0.11000000 1.00021288339760e+00 +0.12000000 1.00025320689252e+00 +0.13000000 1.00029698544583e+00 +0.14000000 1.00034420627443e+00 +0.15000000 1.00039485559254e+00 +0.16000000 1.00044891861623e+00 +0.17000000 1.00050637956832e+00 +0.18000000 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3.30791513853569e-03 4.16558581018115e-05 +4.81000000 8.35495036747906e-01 1.61073996955257e-01 3.38843711282422e-03 4.25292177957655e-05 +4.82000000 8.34528022191525e-01 1.61958468405723e-01 3.47009739689475e-03 4.34120398175492e-05 +4.83000000 8.33557728243694e-01 1.62845070364411e-01 3.55289726530630e-03 4.43041607255570e-05 +4.84000000 8.32584218096320e-01 1.63733738772074e-01 3.63683775471328e-03 4.52054112072954e-05 +4.85000000 8.31607555363165e-01 1.64624409393812e-01 3.72191966138996e-03 4.61156161254500e-05 +4.86000000 8.30627804054871e-01 1.65517017846392e-01 3.80814353884074e-03 4.70345945672000e-05 +4.87000000 8.29645028554044e-01 1.66411499625411e-01 3.89550969549835e-03 4.79621598968092e-05 +4.88000000 8.28659293590402e-01 1.67307790132305e-01 3.98401819251147e-03 4.88981198115165e-05 +4.89000000 8.27670664216016e-01 1.68205824701169e-01 4.07366884162403e-03 4.98422764007590e-05 +4.90000000 8.26679205780675e-01 1.69105538625359e-01 4.16446120314751e-03 5.07944262087509e-05 +4.91000000 8.25684983907378e-01 1.70006867183865e-01 4.25639458402802e-03 5.17543603004508e-05 +4.92000000 8.24688064467988e-01 1.70909745667424e-01 4.34946803600987e-03 5.27218643309435e-05 +4.93000000 8.23688513559079e-01 1.71814109404341e-01 4.44368035389673e-03 5.36967186182666e-05 +4.94000000 8.22686397477963e-01 1.72719893786022e-01 4.53903007391194e-03 5.46786982197086e-05 +4.95000000 8.21681782698962e-01 1.73627034292167e-01 4.63551547215926e-03 5.56675730116078e-05 +4.96000000 8.20674735849906e-01 1.74535466515618e-01 4.73313456318504e-03 5.66631077726789e-05 +4.97000000 8.19665323688909e-01 1.75445126186843e-01 4.83188509864313e-03 5.76650622708913e-05 +4.98000000 8.18653613081412e-01 1.76355949198020e-01 4.93176456606315e-03 5.86731913539275e-05 +4.99000000 8.17639670977548e-01 1.77267871626718e-01 5.03277018772323e-03 5.96872450432412e-05 +5.00000000 8.16623564389811e-01 1.78180829759147e-01 5.13489891962801e-03 6.07069686317399e-05 diff --git a/tests/regression/nlevels_4_4_4_4/nlevels_4_4_4_4.cfg b/tests/regression/nlevels_4_4_4_4/nlevels_4_4_4_4.cfg new file mode 100644 index 00000000..5a606888 --- /dev/null +++ b/tests/regression/nlevels_4_4_4_4/nlevels_4_4_4_4.cfg @@ -0,0 +1,58 @@ +nlevels = 4, 4, 4, 4 +ntime = 500 +dt = 0.01 +transfreq = 4.1, 4.2, 4.3, 4.4 +selfkerr = 0.2, 0.2, 0.2, 0.2 +crosskerr = 0.001, 0.001, 0.001, 0.001, 0.001, 0.001 +Jkl = 0.001, 0.001, 0.001, 0.001, 0.001, 0.001 +rotfreq = 4.1, 4.2, 4.3, 4.4 +collapse_type = none +decay_time = 0.0, 0.0, 0.0, 0.0 +dephase_time = 0.0, 0.0, 0.0, 0.0 +initialcondition = pure, 1, 0, 0, 0 +control_segments0 = spline, 15 +control_segments1 = spline, 15 +control_segments2 = spline, 15 +control_segments3 = spline, 15 +control_enforceBC=false +control_initialization0 = constant, 0.005 +control_initialization1 = constant, 0.005 +control_initialization2 = constant, 0.005 +control_initialization3 = constant, 0.005 +control_bounds0 = 0.008 +control_bounds1 = 0.008 +control_bounds2 = 0.008 +control_bounds3 = 0.008 +carrier_frequency0 = 0.0, -0.2, -0.001 +carrier_frequency1 = 0.0, -0.2, -0.001 +carrier_frequency2 = 0.0, -0.2, -0.001 +carrier_frequency3 = 0.0, -0.2, -0.001 +optim_target = gate, cqnot +optim_target = pure, 0, 0, 0, 0 +optim_objective = Jtrace +optim_weights = 1.0 +optim_atol = 1e-7 +optim_rtol = 1e-8 +optim_ftol = 1e-5 +optim_inftol = 1e-5 +optim_maxiter = 200 +optim_regul = 0.00001 +optim_penalty = 0.0 +optim_penalty_param = 0.0 +optim_penalty_dpdm = 0.0 +optim_penalty_energy= 0.0 +optim_penalty_variation= 0.0 +optim_regul_tik0=false +datadir = ./data_out +output0 = expectedEnergy, population +output1 = expectedEnergy, population +output2 = expectedEnergy, population +output3 = expectedEnergy, population +output_frequency = 1 +optim_monitor_frequency = 1 +runtype = simulation +usematfree = false +linearsolver_type = gmres +linearsolver_maxiter = 20 +timestepper = IMR +rand_seed = 1234 diff --git a/regression_tests/pipulse/base/expected0.iinit0000.dat b/tests/regression/pipulse/base/expected0.iinit0000.dat similarity index 100% rename from regression_tests/pipulse/base/expected0.iinit0000.dat rename to tests/regression/pipulse/base/expected0.iinit0000.dat diff --git a/regression_tests/pipulse/base/expected0.iinit0001.dat b/tests/regression/pipulse/base/expected0.iinit0001.dat similarity index 100% rename from regression_tests/pipulse/base/expected0.iinit0001.dat rename to tests/regression/pipulse/base/expected0.iinit0001.dat diff --git a/regression_tests/pipulse/base/expected0.iinit0002.dat b/tests/regression/pipulse/base/expected0.iinit0002.dat similarity index 100% rename from regression_tests/pipulse/base/expected0.iinit0002.dat rename to tests/regression/pipulse/base/expected0.iinit0002.dat diff --git a/regression_tests/pipulse/base/expected0.iinit0003.dat b/tests/regression/pipulse/base/expected0.iinit0003.dat similarity index 100% rename from regression_tests/pipulse/base/expected0.iinit0003.dat rename to tests/regression/pipulse/base/expected0.iinit0003.dat diff --git a/regression_tests/pipulse/base/optim_history.dat b/tests/regression/pipulse/base/optim_history.dat similarity index 100% rename from regression_tests/pipulse/base/optim_history.dat rename to tests/regression/pipulse/base/optim_history.dat diff --git a/regression_tests/pipulse/base/population0.iinit0000.dat b/tests/regression/pipulse/base/population0.iinit0000.dat similarity index 100% rename from regression_tests/pipulse/base/population0.iinit0000.dat rename to tests/regression/pipulse/base/population0.iinit0000.dat diff --git a/regression_tests/pipulse/base/population0.iinit0001.dat b/tests/regression/pipulse/base/population0.iinit0001.dat similarity index 100% rename from regression_tests/pipulse/base/population0.iinit0001.dat rename to tests/regression/pipulse/base/population0.iinit0001.dat diff --git a/regression_tests/pipulse/base/population0.iinit0002.dat b/tests/regression/pipulse/base/population0.iinit0002.dat similarity index 100% rename from regression_tests/pipulse/base/population0.iinit0002.dat rename to tests/regression/pipulse/base/population0.iinit0002.dat diff --git a/regression_tests/pipulse/base/population0.iinit0003.dat b/tests/regression/pipulse/base/population0.iinit0003.dat similarity index 100% rename from regression_tests/pipulse/base/population0.iinit0003.dat rename to tests/regression/pipulse/base/population0.iinit0003.dat diff --git a/regression_tests/pipulse/base/rho_Im.iinit0000.dat b/tests/regression/pipulse/base/rho_Im.iinit0000.dat similarity index 100% rename from regression_tests/pipulse/base/rho_Im.iinit0000.dat rename to tests/regression/pipulse/base/rho_Im.iinit0000.dat diff --git a/regression_tests/pipulse/base/rho_Im.iinit0001.dat b/tests/regression/pipulse/base/rho_Im.iinit0001.dat similarity index 100% rename from regression_tests/pipulse/base/rho_Im.iinit0001.dat rename to tests/regression/pipulse/base/rho_Im.iinit0001.dat diff --git a/regression_tests/pipulse/base/rho_Im.iinit0002.dat b/tests/regression/pipulse/base/rho_Im.iinit0002.dat similarity index 100% rename from regression_tests/pipulse/base/rho_Im.iinit0002.dat rename to tests/regression/pipulse/base/rho_Im.iinit0002.dat diff --git a/regression_tests/pipulse/base/rho_Im.iinit0003.dat b/tests/regression/pipulse/base/rho_Im.iinit0003.dat similarity index 100% rename from regression_tests/pipulse/base/rho_Im.iinit0003.dat rename to tests/regression/pipulse/base/rho_Im.iinit0003.dat diff --git a/regression_tests/pipulse/base/rho_Re.iinit0000.dat b/tests/regression/pipulse/base/rho_Re.iinit0000.dat similarity index 100% rename from regression_tests/pipulse/base/rho_Re.iinit0000.dat rename to tests/regression/pipulse/base/rho_Re.iinit0000.dat diff --git a/regression_tests/pipulse/base/rho_Re.iinit0001.dat b/tests/regression/pipulse/base/rho_Re.iinit0001.dat similarity index 100% rename from regression_tests/pipulse/base/rho_Re.iinit0001.dat rename to tests/regression/pipulse/base/rho_Re.iinit0001.dat diff --git a/regression_tests/pipulse/base/rho_Re.iinit0002.dat b/tests/regression/pipulse/base/rho_Re.iinit0002.dat similarity index 100% rename from regression_tests/pipulse/base/rho_Re.iinit0002.dat rename to tests/regression/pipulse/base/rho_Re.iinit0002.dat diff --git a/regression_tests/pipulse/base/rho_Re.iinit0003.dat b/tests/regression/pipulse/base/rho_Re.iinit0003.dat similarity index 100% rename from regression_tests/pipulse/base/rho_Re.iinit0003.dat rename to tests/regression/pipulse/base/rho_Re.iinit0003.dat diff --git a/regression_tests/pipulse/pipulse.cfg b/tests/regression/pipulse/pipulse.cfg similarity index 100% rename from regression_tests/pipulse/pipulse.cfg rename to tests/regression/pipulse/pipulse.cfg diff --git a/regression_tests/rebaseTests.sh b/tests/regression/rebaseTests.sh similarity index 100% rename from regression_tests/rebaseTests.sh rename to tests/regression/rebaseTests.sh diff --git a/regression_tests/regression_test.py b/tests/regression/regression_test.py similarity index 89% rename from regression_tests/regression_test.py rename to tests/regression/regression_test.py index 88934012..adcca19f 100644 --- a/regression_tests/regression_test.py +++ b/tests/regression/regression_test.py @@ -6,6 +6,8 @@ from pydantic import BaseModel, TypeAdapter from typing import List +from tests.utils.common import build_mpi_command + REL_TOL = 1.0e-7 ABS_TOL = 1.0e-15 @@ -14,7 +16,7 @@ TEST_PATH = os.path.dirname(os.path.realpath(__file__)) TEST_CASES_PATH = os.path.join(TEST_PATH, "test_cases.json") -QUANDARY_PATH = os.path.join(TEST_PATH, "..", "quandary") +QUANDARY_PATH = os.path.join(TEST_PATH, "..", "..", "quandary") class Case(BaseModel): @@ -53,12 +55,12 @@ def test_eval(test_case: Case, request): def run_test(simulation_dir, number_of_processes, config_file, files_to_compare, exact, mpi_exec, mpi_opt): os.chdir(simulation_dir) - command = mpi_exec.split() - command.extend(["-n", str(number_of_processes)]) - if mpi_opt: - command.extend([mpi_opt]) - command.extend([QUANDARY_PATH, config_file]) - + command = build_mpi_command( + mpi_exec=mpi_exec, + num_processes=number_of_processes, + mpi_opt=mpi_opt, + quandary_path=QUANDARY_PATH, + config_file=config_file) print(f"Running command: \"{' '.join(command)}\"") result = subprocess.run(command, capture_output=True, text=True, check=True) print(result.stdout) diff --git a/regression_tests/spinchain_N8/base/population0.iinit0000.dat b/tests/regression/spinchain_N8/base/population0.iinit0000.dat similarity index 100% rename from regression_tests/spinchain_N8/base/population0.iinit0000.dat rename to tests/regression/spinchain_N8/base/population0.iinit0000.dat diff --git a/regression_tests/spinchain_N8/base/population1.iinit0000.dat b/tests/regression/spinchain_N8/base/population1.iinit0000.dat similarity index 100% rename from regression_tests/spinchain_N8/base/population1.iinit0000.dat rename to tests/regression/spinchain_N8/base/population1.iinit0000.dat diff --git a/regression_tests/spinchain_N8/base/population2.iinit0000.dat b/tests/regression/spinchain_N8/base/population2.iinit0000.dat similarity index 100% rename from regression_tests/spinchain_N8/base/population2.iinit0000.dat rename to tests/regression/spinchain_N8/base/population2.iinit0000.dat diff --git a/regression_tests/spinchain_N8/base/population3.iinit0000.dat b/tests/regression/spinchain_N8/base/population3.iinit0000.dat similarity index 100% rename from regression_tests/spinchain_N8/base/population3.iinit0000.dat rename to tests/regression/spinchain_N8/base/population3.iinit0000.dat diff --git a/regression_tests/spinchain_N8/base/population4.iinit0000.dat b/tests/regression/spinchain_N8/base/population4.iinit0000.dat similarity index 100% rename from regression_tests/spinchain_N8/base/population4.iinit0000.dat rename to tests/regression/spinchain_N8/base/population4.iinit0000.dat diff --git a/regression_tests/spinchain_N8/base/population5.iinit0000.dat b/tests/regression/spinchain_N8/base/population5.iinit0000.dat similarity index 100% rename from regression_tests/spinchain_N8/base/population5.iinit0000.dat rename to tests/regression/spinchain_N8/base/population5.iinit0000.dat diff --git a/regression_tests/spinchain_N8/base/population6.iinit0000.dat b/tests/regression/spinchain_N8/base/population6.iinit0000.dat similarity index 100% rename from regression_tests/spinchain_N8/base/population6.iinit0000.dat rename to tests/regression/spinchain_N8/base/population6.iinit0000.dat diff --git a/regression_tests/spinchain_N8/base/population7.iinit0000.dat b/tests/regression/spinchain_N8/base/population7.iinit0000.dat similarity index 100% rename from regression_tests/spinchain_N8/base/population7.iinit0000.dat rename to tests/regression/spinchain_N8/base/population7.iinit0000.dat diff --git a/regression_tests/spinchain_N8/spinchain_N8.cfg b/tests/regression/spinchain_N8/spinchain_N8.cfg similarity index 100% rename from regression_tests/spinchain_N8/spinchain_N8.cfg rename to tests/regression/spinchain_N8/spinchain_N8.cfg diff --git a/regression_tests/state-to-state_spline0/base/optim_history.dat b/tests/regression/state-to-state_spline0/base/optim_history.dat similarity index 100% rename from regression_tests/state-to-state_spline0/base/optim_history.dat rename to tests/regression/state-to-state_spline0/base/optim_history.dat diff --git a/regression_tests/state-to-state_spline0/base/params.dat b/tests/regression/state-to-state_spline0/base/params.dat similarity index 100% rename from regression_tests/state-to-state_spline0/base/params.dat rename to tests/regression/state-to-state_spline0/base/params.dat diff --git a/regression_tests/state-to-state_spline0/base/rho_Im.iinit0000.dat b/tests/regression/state-to-state_spline0/base/rho_Im.iinit0000.dat similarity index 100% rename from regression_tests/state-to-state_spline0/base/rho_Im.iinit0000.dat rename to tests/regression/state-to-state_spline0/base/rho_Im.iinit0000.dat diff --git a/regression_tests/state-to-state_spline0/base/rho_Re.iinit0000.dat b/tests/regression/state-to-state_spline0/base/rho_Re.iinit0000.dat similarity index 100% rename from regression_tests/state-to-state_spline0/base/rho_Re.iinit0000.dat rename to tests/regression/state-to-state_spline0/base/rho_Re.iinit0000.dat diff --git a/regression_tests/state-to-state_spline0/params.dat b/tests/regression/state-to-state_spline0/params.dat similarity index 100% rename from regression_tests/state-to-state_spline0/params.dat rename to tests/regression/state-to-state_spline0/params.dat diff --git a/regression_tests/state-to-state_spline0/state-to-state_spline0.cfg b/tests/regression/state-to-state_spline0/state-to-state_spline0.cfg similarity index 100% rename from regression_tests/state-to-state_spline0/state-to-state_spline0.cfg rename to tests/regression/state-to-state_spline0/state-to-state_spline0.cfg diff --git a/regression_tests/state-to-state_spline0/targetstate.dat b/tests/regression/state-to-state_spline0/targetstate.dat similarity index 100% rename from regression_tests/state-to-state_spline0/targetstate.dat rename to tests/regression/state-to-state_spline0/targetstate.dat diff --git a/regression_tests/test_cases.json b/tests/regression/test_cases.json similarity index 93% rename from regression_tests/test_cases.json rename to tests/regression/test_cases.json index 68844e60..8f27d23a 100644 --- a/regression_tests/test_cases.json +++ b/tests/regression/test_cases.json @@ -138,5 +138,15 @@ "number_of_processes": [ 4 ] + }, + { + "simulation_name": "nlevels_4_4_4_4", + "files_to_compare": [ + "population*.dat", + "expected*.dat" + ], + "number_of_processes": [ + 1, 2, 4 + ] } ] diff --git a/regression_tests/xgate/base/optim_history.dat b/tests/regression/xgate/base/optim_history.dat similarity index 100% rename from regression_tests/xgate/base/optim_history.dat rename to tests/regression/xgate/base/optim_history.dat diff --git a/regression_tests/xgate/base/population0.iinit0001.dat b/tests/regression/xgate/base/population0.iinit0001.dat similarity index 100% rename from regression_tests/xgate/base/population0.iinit0001.dat rename to tests/regression/xgate/base/population0.iinit0001.dat diff --git a/regression_tests/xgate/base/population0.iinit0002.dat b/tests/regression/xgate/base/population0.iinit0002.dat similarity index 100% rename from regression_tests/xgate/base/population0.iinit0002.dat rename to tests/regression/xgate/base/population0.iinit0002.dat diff --git a/regression_tests/xgate/base/population0.iinit0003.dat b/tests/regression/xgate/base/population0.iinit0003.dat similarity index 100% rename from regression_tests/xgate/base/population0.iinit0003.dat rename to tests/regression/xgate/base/population0.iinit0003.dat diff --git a/regression_tests/xgate/base/rho_Im.iinit0001.dat b/tests/regression/xgate/base/rho_Im.iinit0001.dat similarity index 100% rename from regression_tests/xgate/base/rho_Im.iinit0001.dat rename to tests/regression/xgate/base/rho_Im.iinit0001.dat diff --git a/regression_tests/xgate/base/rho_Im.iinit0002.dat b/tests/regression/xgate/base/rho_Im.iinit0002.dat similarity index 100% rename from regression_tests/xgate/base/rho_Im.iinit0002.dat rename to tests/regression/xgate/base/rho_Im.iinit0002.dat diff --git a/regression_tests/xgate/base/rho_Im.iinit0003.dat b/tests/regression/xgate/base/rho_Im.iinit0003.dat similarity index 100% rename from regression_tests/xgate/base/rho_Im.iinit0003.dat rename to tests/regression/xgate/base/rho_Im.iinit0003.dat diff --git a/regression_tests/xgate/base/rho_Re.iinit0001.dat b/tests/regression/xgate/base/rho_Re.iinit0001.dat similarity index 100% rename from regression_tests/xgate/base/rho_Re.iinit0001.dat rename to tests/regression/xgate/base/rho_Re.iinit0001.dat diff --git a/regression_tests/xgate/base/rho_Re.iinit0002.dat b/tests/regression/xgate/base/rho_Re.iinit0002.dat similarity index 100% rename from regression_tests/xgate/base/rho_Re.iinit0002.dat rename to tests/regression/xgate/base/rho_Re.iinit0002.dat diff --git a/regression_tests/xgate/base/rho_Re.iinit0003.dat b/tests/regression/xgate/base/rho_Re.iinit0003.dat similarity index 100% rename from regression_tests/xgate/base/rho_Re.iinit0003.dat rename to tests/regression/xgate/base/rho_Re.iinit0003.dat diff --git a/regression_tests/xgate/xgate.cfg b/tests/regression/xgate/xgate.cfg similarity index 100% rename from regression_tests/xgate/xgate.cfg rename to tests/regression/xgate/xgate.cfg diff --git a/regression_tests/xgate_sparsemat/base/grad.dat b/tests/regression/xgate_sparsemat/base/grad.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/grad.dat rename to tests/regression/xgate_sparsemat/base/grad.dat diff --git a/regression_tests/xgate_sparsemat/base/optim_history.dat b/tests/regression/xgate_sparsemat/base/optim_history.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/optim_history.dat rename to tests/regression/xgate_sparsemat/base/optim_history.dat diff --git a/regression_tests/xgate_sparsemat/base/population0.iinit0000.dat b/tests/regression/xgate_sparsemat/base/population0.iinit0000.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/population0.iinit0000.dat rename to tests/regression/xgate_sparsemat/base/population0.iinit0000.dat diff --git a/regression_tests/xgate_sparsemat/base/population0.iinit0001.dat b/tests/regression/xgate_sparsemat/base/population0.iinit0001.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/population0.iinit0001.dat rename to tests/regression/xgate_sparsemat/base/population0.iinit0001.dat diff --git a/regression_tests/xgate_sparsemat/base/population0.iinit0002.dat b/tests/regression/xgate_sparsemat/base/population0.iinit0002.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/population0.iinit0002.dat rename to tests/regression/xgate_sparsemat/base/population0.iinit0002.dat diff --git a/regression_tests/xgate_sparsemat/base/population0.iinit0003.dat b/tests/regression/xgate_sparsemat/base/population0.iinit0003.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/population0.iinit0003.dat rename to tests/regression/xgate_sparsemat/base/population0.iinit0003.dat diff --git a/regression_tests/xgate_sparsemat/base/rho_Im.iinit0000.dat b/tests/regression/xgate_sparsemat/base/rho_Im.iinit0000.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/rho_Im.iinit0000.dat rename to tests/regression/xgate_sparsemat/base/rho_Im.iinit0000.dat diff --git a/regression_tests/xgate_sparsemat/base/rho_Im.iinit0001.dat b/tests/regression/xgate_sparsemat/base/rho_Im.iinit0001.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/rho_Im.iinit0001.dat rename to tests/regression/xgate_sparsemat/base/rho_Im.iinit0001.dat diff --git a/regression_tests/xgate_sparsemat/base/rho_Im.iinit0002.dat b/tests/regression/xgate_sparsemat/base/rho_Im.iinit0002.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/rho_Im.iinit0002.dat rename to tests/regression/xgate_sparsemat/base/rho_Im.iinit0002.dat diff --git a/regression_tests/xgate_sparsemat/base/rho_Im.iinit0003.dat b/tests/regression/xgate_sparsemat/base/rho_Im.iinit0003.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/rho_Im.iinit0003.dat rename to tests/regression/xgate_sparsemat/base/rho_Im.iinit0003.dat diff --git a/regression_tests/xgate_sparsemat/base/rho_Re.iinit0000.dat b/tests/regression/xgate_sparsemat/base/rho_Re.iinit0000.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/rho_Re.iinit0000.dat rename to tests/regression/xgate_sparsemat/base/rho_Re.iinit0000.dat diff --git a/regression_tests/xgate_sparsemat/base/rho_Re.iinit0001.dat b/tests/regression/xgate_sparsemat/base/rho_Re.iinit0001.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/rho_Re.iinit0001.dat rename to tests/regression/xgate_sparsemat/base/rho_Re.iinit0001.dat diff --git a/regression_tests/xgate_sparsemat/base/rho_Re.iinit0002.dat b/tests/regression/xgate_sparsemat/base/rho_Re.iinit0002.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/rho_Re.iinit0002.dat rename to tests/regression/xgate_sparsemat/base/rho_Re.iinit0002.dat diff --git a/regression_tests/xgate_sparsemat/base/rho_Re.iinit0003.dat b/tests/regression/xgate_sparsemat/base/rho_Re.iinit0003.dat similarity index 100% rename from regression_tests/xgate_sparsemat/base/rho_Re.iinit0003.dat rename to tests/regression/xgate_sparsemat/base/rho_Re.iinit0003.dat diff --git a/regression_tests/xgate_sparsemat/params.dat b/tests/regression/xgate_sparsemat/params.dat similarity index 100% rename from regression_tests/xgate_sparsemat/params.dat rename to tests/regression/xgate_sparsemat/params.dat diff --git a/regression_tests/xgate_sparsemat/xgate_sparsemat.cfg b/tests/regression/xgate_sparsemat/xgate_sparsemat.cfg similarity index 100% rename from regression_tests/xgate_sparsemat/xgate_sparsemat.cfg rename to tests/regression/xgate_sparsemat/xgate_sparsemat.cfg diff --git a/tests/utils/__init__.py b/tests/utils/__init__.py new file mode 100644 index 00000000..5e372724 --- /dev/null +++ b/tests/utils/__init__.py @@ -0,0 +1 @@ +"""Shared utilities for Quandary test scripts.""" diff --git a/tests/utils/common.py b/tests/utils/common.py new file mode 100644 index 00000000..4415e7e9 --- /dev/null +++ b/tests/utils/common.py @@ -0,0 +1,11 @@ +"""Common utility functions for quandary tests.""" + + +def build_mpi_command(mpi_exec: str, num_processes: int, mpi_opt: str, quandary_path: str, config_file: str): + """Build MPI command.""" + command = mpi_exec.split() + command.extend(["-n", str(num_processes)]) + if mpi_opt: + command.extend([mpi_opt]) + command.extend([quandary_path, config_file]) + return command