Help optimize nbody bench program (c++ sse2 intrinsics)

From:
Melzzzzz <mel@zzzzz.com>
Newsgroups:
comp.lang.c++,alt.lang.asm
Date:
Fri, 12 Oct 2012 20:53:14 +0200
Message-ID:
<k59ouq$lce$1@news.albasani.net>
I have succeed to optimize nbody program to be faster
than c++ what we have on shootout site currently
but is still slower than intel fortran ;)

http://shootout.alioth.debian.org/u64q/performance.php?test=nbody

I have started from java implementation and converted it to c++,
but it seems somewhat clumsy.
If someone is interested to play with this I will be glad to
see improvement ;)

On q6600 @ 2.4 GHz executes:

[bmaxa@bmaxa nbody]$ g++ -Wall -O3 -std=c++0x -msse2 nbodysse2.cpp -o nbodysse2cpp
[bmaxa@bmaxa nbody]$ time ./nbodysse2cpp 50000000
-0.169075164
-0.169059907

real 0m17.108s
user 0m17.076s
sys 0m0.022s

while program that is currently on site executes:
 
[bmaxa@bmaxa nbody]$ time ./nbodycpp 50000000
-0.169075164
-0.169059907

real 0m20.621s
user 0m20.554s
sys 0m0.039s

Program follows:

/* The Computer Language Benchmarks Game

   http://shootout.alioth.debian.org/

   contributed by Mark C. Lewis

   modified slightly by Chad Whipkey
   
   converted to c++ and added sse2 support by Branimir Maksimovic
   

*/
#include <cstdio>
#include <cmath>
#include <cstdlib>
#include <vector>
#include <immintrin.h>

static const double PI = 3.141592653589793;
static const double SOLAR_MASS = 4 * PI * PI;
static const double DAYS_PER_YEAR = 365.24;

class Body {

   public: double x, y, z, filler, vx, vy, vz, mass;

   public: Body(){}

   static Body& jupiter(){
      static Body p;
      p.x = 4.84143144246472090e+00;
      p.y = -1.16032004402742839e+00;
      p.z = -1.03622044471123109e-01;
      p.vx = 1.66007664274403694e-03 * DAYS_PER_YEAR;
      p.vy = 7.69901118419740425e-03 * DAYS_PER_YEAR;
      p.vz = -6.90460016972063023e-05 * DAYS_PER_YEAR;
      p.mass = 9.54791938424326609e-04 * SOLAR_MASS;
      return p;
   }

   static Body& saturn(){
      static Body p;
      p.x = 8.34336671824457987e+00;
      p.y = 4.12479856412430479e+00;
      p.z = -4.03523417114321381e-01;
      p.vx = -2.76742510726862411e-03 * DAYS_PER_YEAR;
      p.vy = 4.99852801234917238e-03 * DAYS_PER_YEAR;
      p.vz = 2.30417297573763929e-05 * DAYS_PER_YEAR;
      p.mass = 2.85885980666130812e-04 * SOLAR_MASS;
      return p;
   }

   static Body& uranus(){
      static Body p;
      p.x = 1.28943695621391310e+01;
      p.y = -1.51111514016986312e+01;
      p.z = -2.23307578892655734e-01;
      p.vx = 2.96460137564761618e-03 * DAYS_PER_YEAR;
      p.vy = 2.37847173959480950e-03 * DAYS_PER_YEAR;
      p.vz = -2.96589568540237556e-05 * DAYS_PER_YEAR;
      p.mass = 4.36624404335156298e-05 * SOLAR_MASS;
      return p;
   }

   static Body& neptune(){
      static Body p;
      p.x = 1.53796971148509165e+01;
      p.y = -2.59193146099879641e+01;
      p.z = 1.79258772950371181e-01;
      p.vx = 2.68067772490389322e-03 * DAYS_PER_YEAR;
      p.vy = 1.62824170038242295e-03 * DAYS_PER_YEAR;
      p.vz = -9.51592254519715870e-05 * DAYS_PER_YEAR;
      p.mass = 5.15138902046611451e-05 * SOLAR_MASS;
      return p;
   }

   static Body& sun(){
      static Body p;
      p.mass = SOLAR_MASS;
      return p;
   }

   Body& offsetMomentum(double px, double py, double pz){
      vx = -px / SOLAR_MASS;
      vy = -py / SOLAR_MASS;
      vz = -pz / SOLAR_MASS;
      return *this;
   }
};

template <typename T, std::size_t N = 16>
class AlignmentAllocator {
public:
  typedef T value_type;
  typedef std::size_t size_type;
  typedef std::ptrdiff_t difference_type;

  typedef T * pointer;
  typedef const T * const_pointer;

  typedef T & reference;
  typedef const T & const_reference;

  public:
  inline AlignmentAllocator () throw () { }

  template <typename T2>
  inline AlignmentAllocator (const AlignmentAllocator<T2, N> &) throw () { }

  inline ~AlignmentAllocator () throw () { }

  inline pointer adress (reference r) {
    return &r;
  }

  inline const_pointer adress (const_reference r) const {
    return &r;
  }

  inline pointer allocate (size_type n) {
     return (pointer)_mm_malloc(n*sizeof(value_type), N);
  }

  inline void deallocate (pointer p, size_type) {
    _mm_free (p);
  }

  inline void construct (pointer p, const value_type & wert) {
     new (p) value_type (wert);
  }

  inline void destroy (pointer p) {
    p->~value_type ();
  }

  inline size_type max_size () const throw () {
    return size_type (-1) / sizeof (value_type);
  }

  template <typename T2>
  struct rebind {
    typedef AlignmentAllocator<T2, N> other;
  };

  bool operator!=(const AlignmentAllocator<T,N>& other) const {
    return !(*this == other);
  }

  // Returns true if and only if storage allocated from *this
  // can be deallocated from other, and vice versa.
  // Always returns true for stateless allocators.
  bool operator==(const AlignmentAllocator<T,N>& other) const {
    return true;
  }
};

class NBodySystem {
    private: std::vector<Body,AlignmentAllocator<Body,4096> > bodies;

    public: NBodySystem()
    : bodies {
            Body::sun(),
            Body::jupiter(),
            Body::saturn(),
            Body::uranus(),
            Body::neptune()
         }
    {
      double px = 0.0;
      double py = 0.0;
      double pz = 0.0;
      for(unsigned i=0; i < bodies.size(); ++i) {
         px += bodies[i].vx * bodies[i].mass;
         py += bodies[i].vy * bodies[i].mass;
         pz += bodies[i].vz * bodies[i].mass;
      }
      bodies[0].offsetMomentum(px,py,pz);
   }

   public: void advance(double dt) {
    unsigned N = (bodies.size()-1)*bodies.size()/2;
    struct R{
        double dx,dy,dz,filler;
    };
    __m128d ddt = _mm_set1_pd(dt);

    static __attribute__((aligned(16))) R r[1000];
    static __attribute__((aligned(16))) double mag[1000];

      for(unsigned i=0,k=0; i < bodies.size(); ++i) {
            Body& iBody = bodies[i];
            __m128d idx = _mm_load_pd(&iBody.x);
         for(unsigned j=i+1; j < bodies.size(); ++j,++k) {
            __m128d jdx = _mm_load_pd(&bodies[j].x);
            _mm_store_pd(&r[k].dx,idx-jdx);
            r[k].dz = iBody.z - bodies[j].z;
         }
      }

      for(unsigned i=0; i < N; i+=2) {
          __m128d dx,dy,dz;
          dx = _mm_loadl_pd(dx,&r[i].dx);
          dy = _mm_loadl_pd(dy,&r[i].dy);
          dz = _mm_loadl_pd(dz,&r[i].dz);
          
          dx = _mm_loadh_pd(dx,&r[i+1].dx);
          dy = _mm_loadh_pd(dy,&r[i+1].dy);
          dz = _mm_loadh_pd(dz,&r[i+1].dz);
          
          
          __m128d dSquared = dx*dx + dy*dy + dz*dz;
          __m128d distance = _mm_sqrt_pd(dSquared);
          __m128d dmag = ddt/(dSquared * distance);
          _mm_store_pd(&mag[i],dmag);
      }

      for(unsigned i=0,k=0; i < bodies.size(); ++i) {
            Body& iBody = bodies[i];
         for(unsigned j=i+1; j < bodies.size(); ++j,++k) {
            __m128d jmass = _mm_set1_pd(bodies[j].mass);
            __m128d kmag = _mm_set1_pd(mag[k]);
            __m128d jkmm = jmass * kmag;

            __m128d kdx = _mm_load_pd(&r[k].dx);

            __m128d ivx = _mm_load_pd(&iBody.vx);

            _mm_store_pd(&iBody.vx, ivx - kdx*jkmm);

            iBody.vz -= r[k].dz * bodies[j].mass * mag[k];

            __m128d imass = _mm_set1_pd(iBody.mass);

            jkmm = imass * kmag;

            __m128d jvx = _mm_load_pd(&bodies[j].vx);

            _mm_store_pd(&bodies[j].vx, jvx + kdx * jkmm);

            bodies[j].vz += r[k].dz * iBody.mass * mag[k];
         }
      }

        for (unsigned i = 0; i < bodies.size(); ++i) {
         __m128d ix = _mm_load_pd(&bodies[i].x);
         __m128d ivx = _mm_load_pd(&bodies[i].vx);
         _mm_store_pd(&bodies[i].x, ix + ddt * ivx);
         bodies[i].z += dt * bodies[i].vz;
      }
   }

   public: double energy(){
      double dx, dy, dz, distance;
      double e = 0.0;

      for (unsigned i=0; i < bodies.size(); ++i) {
            Body& iBody = bodies[i];
            e += 0.5 * iBody.mass *
                 ( iBody.vx * iBody.vx
                   + iBody.vy * iBody.vy
                   + iBody.vz * iBody.vz );

         for (unsigned j=i+1; j < bodies.size(); ++j) {
                Body& jBody = bodies[j];
                dx = iBody.x - jBody.x;
            dy = iBody.y - jBody.y;
            dz = iBody.z - jBody.z;

            distance = sqrt(dx*dx + dy*dy + dz*dz);
            e -= (iBody.mass * jBody.mass) / distance;
         }
      }
      return e;
   }
};

int main(int argc, char** argv) {
        int n = atoi(argv[1]);

        NBodySystem bodies;
        printf("%.9f\n", bodies.energy());
        for (int i=0; i<n; ++i)
           bodies.advance(0.01);
        printf("%.9f\n", bodies.energy());
    }

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