Commit af61e1f7 authored by Nguyen, Thien Minh's avatar Nguyen, Thien Minh
Browse files

Clean up the qsim examples 



- Renamed those example files to be more specific.

- Added qcor-qsim linkage to the qcor driver script.

- Added unit tests to compile those two example with qcor.

- Remove debug logging in the impl.

Signed-off-by: default avatarThien Nguyen <nguyentm@ornl.gov>
parent 7830b996

lib/qsim/impls/CMakeLists.txt

+3 −3
Original line number Diff line number Diff line
@@ -39,6 +39,6 @@ endif() 
install(TARGETS ${LIBRARY_NAME} DESTINATION ${CMAKE_INSTALL_PREFIX}/plugins)

install(FILES ${HEADERS} DESTINATION include/qcor)



# if (QCOR_BUILD_TESTS)

# 	add_subdirectory(tests)

# endif()
 
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if (QCOR_BUILD_TESTS)

	add_subdirectory(tests)

endif()
 
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lib/qsim/impls/qsim_impl.cpp

+4 −3
Original line number Diff line number Diff line
@@ -57,6 +57,8 @@ TimeDependentWorkflow::execute(const QuatumSimulationModel &model) { 
    // Evaluate the time-dependent Hamiltonian:

    auto ham_t = ham_func(currentTime);

    auto stepAnsatz = method.create_ansatz(&ham_t, {{"dt", dt}});

    // std::cout << "t = " << currentTime << "\n";

    // std::cout << stepAnsatz.circuit->toString() << "\n";

    // First step:

    if (!totalCirc) {

      totalCirc = stepAnsatz.circuit;
@@ -64,10 +66,9 @@ TimeDependentWorkflow::execute(const QuatumSimulationModel &model) { 
      // Append Trotter steps

      totalCirc->addInstructions(stepAnsatz.circuit->getInstructions());

    }



    // std::cout << totalCirc->toString() << "\n";

    // Evaluate the expectation after these Trotter steps:

    const double ham_expect = evaluator->evaluate(totalCirc);

    std::cout << "<Ham> = " << ham_expect << "\n";

    resultExpectationValues.emplace_back(ham_expect);



    currentTime += dt;
@@ -110,7 +111,7 @@ VqeWorkflow::execute(const QuatumSimulationModel &model) { 
        nParams);



    auto result = optimizer->optimize(f);

    std::cout << "Min energy = " << result.first << "\n";

    // std::cout << "Min energy = " << result.first << "\n";

    return {{"energy", result.first}, {"opt-params", result.second}};

  }

lib/qsim/impls/tests/CMakeLists.txt

+2 −5
Original line number Diff line number Diff line 
file(GLOB SRC *.cpp)



add_executable(test-qsim ${SRC})

target_include_directories(test-qsim PUBLIC ../..)

target_link_libraries(test-qsim PUBLIC qcor qcor-qsim)
 
add_test(NAME qsim_vqe COMMAND ${CMAKE_BINARY_DIR}/qcor ${CMAKE_CURRENT_SOURCE_DIR}/VqeWithAnsatzCircuit.cpp)

add_test(NAME qsim_trotter COMMAND ${CMAKE_BINARY_DIR}/qcor ${CMAKE_CURRENT_SOURCE_DIR}/TrotterTdWorkflow.cpp)

lib/qsim/impls/tests/QsimTester.cpp→lib/qsim/impls/tests/TrotterTdWorkflow.cpp

+43 −0
Original line number Diff line number Diff line 
#include "qcor_qsim.hpp"



// High-level usage of Model Builder

// High-level usage of Model Builder for time-dependent quantum simulation

// problem using Trotter method.



// Compile and run with:

/// $ qcor -qpu qpp TrotterTdWorkflow.cpp

/// $ ./a.out



int main(int argc, char **argv) {

  // Define the Hamiltonian using the QCOR API

  // Note: we have support for high-level integration w/ Psi4, OpenFermion,

  // PySCF, etc.

  // Time-dependent Hamiltonian

  // Define the time-dependent Hamiltonian and observable operator using the

  // QCOR API Time-dependent Hamiltonian

  TdObservable H = [](double t) {

    // See Eq. (1): these are dummy params atm

    const double Jz = 1.0;

    const double epsilon = 1.0;

    const double omega = 1.0;

    // Parameters:

    const double Jz = 2 * M_PI * 2.86265 * 1e-3;

    const double epsilon = Jz; // Values: 0.2Jz, 0.5Jz, Jz, 5Jz

    const double omega = 4.8 * 2 * M_PI * 1e-3;

    return -Jz * Z(0) * Z(1) - Jz * Z(1) * Z(2) -

           epsilon * std::cos(omega * t) * (X(0) + X(1) + X(2));

  };
@@ -21,11 +25,19 @@ int main(int argc, char **argv) { 
  // Example: build model and TD workflow for Fig. 2 of

  // https://journals.aps.org/prb/pdf/10.1103/PhysRevB.101.184305

  auto problemModel = ModelBuilder::createModel(&observable, H);

  // Trotter step = 3fs, number of steps = 100 -> end time = 300fs

  auto workflow = qcor::getWorkflow(

      "td-evolution", {{"method", "trotter"}, {"dt", 3.0}, {"steps", 100}});



  // Result should contain the observable expectation value along Trotter steps.

  auto result = workflow->execute(problemModel);

  // Get the observable values (average magnetization)

  const auto obsVals = result.get<std::vector<double>>("exp-vals");



  // Print out for debugging:

  for (const auto &val : obsVals) {

    std::cout << "<Magnetization> = " << val << "\n";

  }



  return 0;

}

lib/qsim/impls/tests/QsimQcorKernel.cpp→lib/qsim/impls/tests/VqeWithAnsatzCircuit.cpp

+10 −1
Original line number Diff line number Diff line 
#include "qcor_qsim.hpp"



// High-level usage of Model Builder for typical VQE problem.



// Compile and run with:

/// $ qcor -qpu qpp VqeWithAnsatzCircuit.cpp 

/// $ ./a.out



// Define a fixed ansatz as a QCOR kernel

__qpu__ void ansatz(qreg q, double theta) {

  X(q[0]);

  auto exponent_op = X(0) * Y(1) - Y(0) * X(1);
@@ -16,11 +23,13 @@ int main(int argc, char **argv) { 


  auto problemModel = ModelBuilder::createModel(ansatz, H.get(), q.size(), 1);

  auto optimizer = createOptimizer("nlopt");



  // Instantiate a VQE workflow with the nlopt optimizer

  auto workflow = qcor::getWorkflow("vqe", {{"optimizer", optimizer}});



  // Result should contain the observable expectation value along Trotter steps.

  auto result = workflow->execute(problemModel);



  const auto energy = result.get<double>("energy");

  std::cout << "Ground-state energy = " << energy << "\n";

  return 0;

}
 
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