Update Kokkos library in LAMMPS to v3.0

This commit is contained in:
Stan Moore
2020-03-25 14:08:39 -06:00
parent 0252d8c210
commit 60864e38d1
2169 changed files with 121406 additions and 126492 deletions

View File

@ -2,10 +2,11 @@
//@HEADER
// ************************************************************************
//
// Kokkos v. 2.0
// Copyright (2014) Sandia Corporation
// Kokkos v. 3.0
// Copyright (2020) National Technology & Engineering
// Solutions of Sandia, LLC (NTESS).
//
// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
// Under the terms of Contract DE-NA0003525 with NTESS,
// the U.S. Government retains certain rights in this software.
//
// Redistribution and use in source and binary forms, with or without
@ -23,10 +24,10 @@
// contributors may be used to endorse or promote products derived from
// this software without specific prior written permission.
//
// THIS SOFTWARE IS PROVIDED BY SANDIA CORPORATION "AS IS" AND ANY
// THIS SOFTWARE IS PROVIDED BY NTESS "AS IS" AND ANY
// EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR
// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL SANDIA CORPORATION OR THE
// PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL NTESS OR THE
// CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
@ -41,108 +42,110 @@
//@HEADER
*/
template<class Scalar>
struct Run<Scalar,UNROLL,STRIDE> {
static void run(int N, int K, int R, int F, int T, int S) {
Kokkos::View<Scalar**[STRIDE],Kokkos::LayoutRight> A("A",N,K);
Kokkos::View<Scalar**[STRIDE],Kokkos::LayoutRight> B("B",N,K);
Kokkos::View<Scalar**[STRIDE],Kokkos::LayoutRight> C("C",N,K);
template <class Scalar>
struct Run<Scalar, UNROLL, STRIDE> {
static void run(int N, int K, int R, int F, int T, int S) {
Kokkos::View<Scalar* * [STRIDE], Kokkos::LayoutRight> A("A", N, K);
Kokkos::View<Scalar* * [STRIDE], Kokkos::LayoutRight> B("B", N, K);
Kokkos::View<Scalar* * [STRIDE], Kokkos::LayoutRight> C("C", N, K);
Kokkos::deep_copy(A,Scalar(1.5));
Kokkos::deep_copy(B,Scalar(2.5));
Kokkos::deep_copy(C,Scalar(3.5));
Kokkos::deep_copy(A, Scalar(1.5));
Kokkos::deep_copy(B, Scalar(2.5));
Kokkos::deep_copy(C, Scalar(3.5));
Kokkos::Timer timer;
Kokkos::parallel_for("BenchmarkKernel",Kokkos::TeamPolicy<>(N,T).set_scratch_size(0,Kokkos::PerTeam(S)),
KOKKOS_LAMBDA ( const Kokkos::TeamPolicy<>::member_type& team) {
const int n = team.league_rank();
for(int r=0; r<R; r++) {
Kokkos::parallel_for(Kokkos::TeamThreadRange(team,0,K), [&] (const int& i) {
Scalar a1 = A(n,i,0);
const Scalar b = B(n,i,0);
#if(UNROLL>1)
Scalar a2 = a1*1.3;
Kokkos::Timer timer;
Kokkos::parallel_for(
"BenchmarkKernel",
Kokkos::TeamPolicy<>(N, T).set_scratch_size(0, Kokkos::PerTeam(S)),
KOKKOS_LAMBDA(const Kokkos::TeamPolicy<>::member_type& team) {
const int n = team.league_rank();
for (int r = 0; r < R; r++) {
Kokkos::parallel_for(
Kokkos::TeamThreadRange(team, 0, K), [&](const int& i) {
Scalar a1 = A(n, i, 0);
const Scalar b = B(n, i, 0);
#if (UNROLL > 1)
Scalar a2 = a1 * 1.3;
#endif
#if(UNROLL>2)
Scalar a3 = a2*1.1;
#if (UNROLL > 2)
Scalar a3 = a2 * 1.1;
#endif
#if(UNROLL>3)
Scalar a4 = a3*1.1;
#if (UNROLL > 3)
Scalar a4 = a3 * 1.1;
#endif
#if(UNROLL>4)
Scalar a5 = a4*1.3;
#if (UNROLL > 4)
Scalar a5 = a4 * 1.3;
#endif
#if(UNROLL>5)
Scalar a6 = a5*1.1;
#if (UNROLL > 5)
Scalar a6 = a5 * 1.1;
#endif
#if(UNROLL>6)
Scalar a7 = a6*1.1;
#if (UNROLL > 6)
Scalar a7 = a6 * 1.1;
#endif
#if(UNROLL>7)
Scalar a8 = a7*1.1;
#if (UNROLL > 7)
Scalar a8 = a7 * 1.1;
#endif
for (int f = 0; f < F; f++) {
a1 += b * a1;
#if (UNROLL > 1)
a2 += b * a2;
#endif
#if (UNROLL > 2)
a3 += b * a3;
#endif
#if (UNROLL > 3)
a4 += b * a4;
#endif
#if (UNROLL > 4)
a5 += b * a5;
#endif
#if (UNROLL > 5)
a6 += b * a6;
#endif
#if (UNROLL > 6)
a7 += b * a7;
#endif
#if (UNROLL > 7)
a8 += b * a8;
#endif
}
#if (UNROLL == 1)
C(n, i, 0) = a1;
#endif
#if (UNROLL == 2)
C(n, i, 0) = a1 + a2;
#endif
#if (UNROLL == 3)
C(n, i, 0) = a1 + a2 + a3;
#endif
#if (UNROLL == 4)
C(n, i, 0) = a1 + a2 + a3 + a4;
#endif
#if (UNROLL == 5)
C(n, i, 0) = a1 + a2 + a3 + a4 + a5;
#endif
#if (UNROLL == 6)
C(n, i, 0) = a1 + a2 + a3 + a4 + a5 + a6;
#endif
#if (UNROLL == 7)
C(n, i, 0) = a1 + a2 + a3 + a4 + a5 + a6 + a7;
#endif
#if (UNROLL == 8)
C(n, i, 0) = a1 + a2 + a3 + a4 + a5 + a6 + a7 + a8;
#endif
});
}
});
Kokkos::fence();
double seconds = timer.seconds();
for(int f = 0; f<F; f++) {
a1 += b*a1;
#if(UNROLL>1)
a2 += b*a2;
#endif
#if(UNROLL>2)
a3 += b*a3;
#endif
#if(UNROLL>3)
a4 += b*a4;
#endif
#if(UNROLL>4)
a5 += b*a5;
#endif
#if(UNROLL>5)
a6 += b*a6;
#endif
#if(UNROLL>6)
a7 += b*a7;
#endif
#if(UNROLL>7)
a8 += b*a8;
#endif
}
#if(UNROLL==1)
C(n,i,0) = a1;
#endif
#if(UNROLL==2)
C(n,i,0) = a1+a2;
#endif
#if(UNROLL==3)
C(n,i,0) = a1+a2+a3;
#endif
#if(UNROLL==4)
C(n,i,0) = a1+a2+a3+a4;
#endif
#if(UNROLL==5)
C(n,i,0) = a1+a2+a3+a4+a5;
#endif
#if(UNROLL==6)
C(n,i,0) = a1+a2+a3+a4+a5+a6;
#endif
#if(UNROLL==7)
C(n,i,0) = a1+a2+a3+a4+a5+a6+a7;
#endif
#if(UNROLL==8)
C(n,i,0) = a1+a2+a3+a4+a5+a6+a7+a8;
#endif
});
}
});
Kokkos::fence();
double seconds = timer.seconds();
double bytes = 1.0*N*K*R*3*sizeof(Scalar);
double flops = 1.0*N*K*R*(F*2*UNROLL + 2*(UNROLL-1));
printf("NKRUFTS: %i %i %i %i %i %i %i Time: %lfs Bandwidth: %lfGiB/s GFlop/s: %lf\n",N,K,R,UNROLL,F,T,S,seconds,1.0*bytes/seconds/1024/1024/1024,1.e-9*flops/seconds);
}
double bytes = 1.0 * N * K * R * 3 * sizeof(Scalar);
double flops = 1.0 * N * K * R * (F * 2 * UNROLL + 2 * (UNROLL - 1));
printf(
"NKRUFTS: %i %i %i %i %i %i %i Time: %lfs Bandwidth: %lfGiB/s GFlop/s: "
"%lf\n",
N, K, R, UNROLL, F, T, S, seconds,
1.0 * bytes / seconds / 1024 / 1024 / 1024, 1.e-9 * flops / seconds);
}
};