Parallel loops

Omega adopts the Kokkos programming model to express on-node parallelism. To provide simplified syntax for the most frequently used computational patterns, Omega provides wrappers funtions that internally handle creating and setting-up Kokkos policies.

Flat multi-dimensional parallelism

parallelFor

To perform parallel iteration over a multi-dimensional index range Omega provides the parallelFor wrapper. For example, the following code shows how to set every element of a 3D array in parallel.

   Array3DReal A("A", N1, N2, N3);
   parallelFor(
       {N1, N2, N3},
       KOKKOS_LAMBDA(int J1, int J2, int J3) {
          A(J1, J2, J3) = J1 + J2 + J3;
       });

Ranges with up to five dimensions are supported. Optionally, a label can be provided as the first argument of parallelFor.

   parallelFor("Set A",
       {N1, N2, N3},
       KOKKOS_LAMBDA(int J1, int J2, int J3) {
          A(J1, J2, J3) = J1 + J2 + J3;
       });

Adding labels can result in more informative messages when Kokkos debug variables are defined.

parallelReduce

To perform parallel reductions over a multi-dimensional index range the parallelReduce wrapper is available. The following code sums every element of A.

   Real SumA;
   parallelReduce(
       {N1, N2, N3},
       KOKKOS_LAMBDA(int J1, int J2, int J3, Real &Accum) {
          Accum += A(J1, J2, J3);
       },
       SumA);

Note the presence of an accumulator variable Accum in the KOKKOS_LAMBDA arguments. You can use parallelReduce to perform other types of reductions. As an example, the following snippet finds the maximum of A.

   Real MaxA;
   parallelReduce(
       {N1, N2, N3},
       KOKKOS_LAMBDA(int J1, int J2, int J3, Real &Accum) {
          Accum = Kokkos::max(Accum, A(J1, J2, J3));
       },
       Kokkos::Max<Real>(MaxA));

To perform reductions that are not sums, in addition to modifying the lambda body, the final reduction variable needs to be cast to the appropriate type. In the above example, MaxA is cast to Kokkos::Max<Real> to perform a max reduction. The parallelReduce wrapper supports performing multiple reductions at the same time. You can compute SumA and MaxA in one pass over the data:

   parallelReduce(
       {N1, N2, N3},
       KOKKOS_LAMBDA(int J1, int J2, int J3, Real &AccumSum, Real &AccumMax) {
          AccumSum += A(J1, J2, J3);
          AccumMax = Kokkos::max(AccumMax, A(J1, J2, J3));
       },
       SumA, Kokkos::Max<Real>(MaxA));

There is no limit to how many reductions can be done at the same time. It is usually beneficial for performance to group a small number (2-8) of simple reductions together. Similarly to parallelFor, parallelReduce supports labels and up to five dimensions.

Hierarchical parallelism

A more flexible alternative to flat parallelism is hierarchical parallelism. In general, Kokkos supports a three-level parallelism hierarchy of

  • teams of a league

  • threads of a team

  • vector lanes of a thread

In Omega, we simplify this design to a two-level hierarchy (outer and inner) that naturally corresponds to the model parallelism in the horizontal and vertical dimensions. The outer level of parallelism in Omega corresponds to parallelism over Kokkos teams, whereas the inner level may be a combination of parallelism over team threads and thread vector lanes. The simplest example of a hierarchical parallel loop using Omega wrappers looks as follows

   parallelForOuter(
       {NCells},
       KOKKOS_LAMBDA(int ICell, const TeamMember &Team) {
           parallelForInner(Team, NVertLayers, INNER_LAMBDA (int KLayer) {
               // Inner body
           });
   });

Note the appearance of a variable named Team of type TeamMember in the outer lambda argument list. This variable handles launching of inner loops and team synchronization. The flexibility of hierarchical parallelism comes from:

  • the possibility of the inner loop range to depend on the outer index

  • the option to use different patterns at the outer and inner levels

  • the option to have multiple parallel loops at the inner level

The following outer iteration patterns are supported in Omega:

  • parallelForOuter

  • parallelReduceOuter

The following inner iteration patterns are supported in Omega:

  • parallelForInner

  • parallelReduceInner

  • parallelScanInner

To provide even more flexibility, the outer loops support iterating over a multi-dimensional range. Currently, the inner loops are limited to one dimension.

INNER_LAMBDA

When using hierarchical parallelism the outer loop lambda has to be annotated with KOKKOS_LAMBDA to be device accessible. In the inner lambda it must be possible to obtain correct results using capture by value ([=]). However, in some cases, better performance might be possible by using capture by reference ([&]). For that reason, Omega provides the INNER_LAMBDA macro that expends to the best performing capture clause depending on the chosen architecture.

teamBarrier

When multiple parallel inner loops are present within one outer loop, synchronization within a thread team might be necessary. Omega provides the teamBarrier function that synchronizes the threads in a team, which can be called as follows.

teamBarrier(Team);

This function may only be called at the outer level and needs to be called by every thread in a team. Failure to follow these rules might result in deadlocks.

Kokkos::single

When using hierarchical parallelism, it might be necessary to restrict execution to just one thread of a team. To do that Kokkos provides the single function. To execute a statement once per team with a single thread do

  Kokkos::single(PerTeam(Team), [=](){
      // executed once per team (by one of the team threads)
  });

parallelForOuter

To start outer iterations over a multidimensional index range the parallelForOuter wrapper is available. A call to parallelForOuter might look as follows.

   parallelForOuter(
       {N1},
       KOKKOS_LAMBDA(int J1, const TeamMember &Team) {
           // launch inner loops here
       });

Labels and multi-dimensional iteration ranges of up to five dimensions are supported by parallelForOuter.

parallelReduceOuter

To start outer reductions over a multi-dimensional index range the parallelReduceOuter wrapper is available. A call to parallelReduceOuter might look as follows.

   Real OuterSum;
   parallelReduceOuter(
       {N1},
       KOKKOS_LAMBDA(int J1, const TeamMember &Team, Real &Accum) {
           Real InnerContribution;
           // compute InnerContribution
           Kokkos::single(PerTeam(Team), [&](){
               Accum += InnerContribution;
           });
       }, OuterSum);

Note how in this example the addition of InnerContribution is done inside Kokkos::single with just one thread from a team. This shows how to add one contribution per team to the total sum. The reduction accumulator comes after the team member variable in the lambda argument list. Labels and multi-dimensional iteration ranges of up to five dimensions are supported in parallelReduceOuter. Different types of reductions (min, max) and multiple reducers are also supported.

parallelForInner

To launch inner parallel iterations Omega provides the parallelForInner wrapper. For example, the following code shows how to set every element of a 3D array in parallel using hierarchical parallelism.

   Array3DReal A("A", N1, N2, N3);
   parallelForOuter(
       {N1, N2}, KOKKOS_LAMBDA(int J1, int J2, const TeamMember &Team) {
        parallelForInner(Team, N3, INNER_LAMBDA(Int J3) {
          A(J1, J2, J3) = J1 + J2 + J3;
        });
    });

Labels are not supported by parallelForInner and only one-dimensional index range can be used. The inner loop range can depend on the outer loop index. For example, to set the elements below the main diagonal of a square matrix one can do:

   Array2DReal M("M", N, N);
   parallelForOuter(
       {N}, KOKKOS_LAMBDA(int J1, const TeamMember &Team) {
        parallelForInner(Team, J1, INNER_LAMBDA(Int J2) {
          M(J1, J2) = J1 + J2;
        });
    });

parallelReduceInner

To launch inner parallel reductions Omega provides the parallelReduceInner wrapper. For example, computing sums along the third dimension of a 3D array in parallel and storing them in a 2D array might be done as follows.

   Array3DReal A("A", N1, N2, N3);
   Array2DReal B("B", N1, N2);
   parallelForOuter(
       {N1, N2}, KOKKOS_LAMBDA(int J1, int J2, const TeamMember &Team) {
        Real SumD3;
        parallelReduceInner(Team, N3, INNER_LAMBDA(Int J3, Real &Accum) {
            Accum += A(J1, J2, J3);
        }, SumD3);
        B(J1, J2) = SumD3;
    });

Labels are not supported by parallelReduceInner and only one-dimensional index range can be used. Different types of reductions (min, max) and multiple reducers are supported. For example, to additionally compute and store maxima along the third dimension of A do

   Array2DReal C("C", N1, N2);
   parallelForOuter(
       {N1, N2}, KOKKOS_LAMBDA(int J1, int J2, const TeamMember &Team) {
        Real SumD3, MaxD3;
        parallelReduceInner(Team, N3, INNER_LAMBDA(Int J3, Real &AccumSum, Real &AccumMax) {
            AccumSum += A(J1, J2, J3);
            AccumMax = Kokkos::Max(AccumMax, A(J1, J2, J3));
        }, SumN3, MaxN3);
        B(J1, J2) = SumD3;
        C(J1, J2) = MaxD3;
    });

Inner reductions are collective operations within a team. This means that the reduction results are available to every thread of a team, without any need for synchronization

parallelScanInner

To launch inner parallel scans Omega provides the parallelScanInner wrapper. For example, computing prefix sums (partial sums) along the third dimension of a 3D array might be done as follows.

   Array3DReal A("A", N1, N2, N3);
   Array3DReal D("D", N1, N2, N3);
   parallelForOuter(
       {N1, N2}, KOKKOS_LAMBDA(int J1, int J2, const TeamMember &Team) {
       parallelScanInner(Team, N1, INNER_LAMBDA(Int J3, Real &Accum, bool IsFinal) {
            Accum += A(J1, J2, J3);
            if (IsFinal) {
              D(J1, J2, J3) = Accum;
            }
        });
       });

This example computes partial sums up to and including A(J1, J2, J3) because the accumulator is updated before the if statement. That is, it performs an inclusive scan. To compute an exclusive scan simply move the addition after the if statement.

  Real FinalScanValue;
  parallelScanInner(Team, N1, INNER_LAMBDA(Int J3, Real &Accum, bool IsFinal) {
       if (IsFinal) {
         D(J1, J2, J3) = Accum;
       }
       Accum += A(J1, J2, J3);
  }, FinalScanValue);

Moreover, this example illustrates that the final scan value can be obtained by providing an additional argument FinalScanValue. Labels are not supported by parallelScanInner and only one-dimensional index range can be used. In contrast to parallelReduceInner, parallelScanInner supports only sum-based scans and only one scan variable.