Say I have a vector containing only positive, real elements defined like this:
Eigen::VectorXd v(1.3876, 8.6983, 5.438, 3.9865, 4.5673);
I want to generate a new vector v2 that has repeated the elements in v some k times. Then I want to apply k different functions to each of the repeated elements in the vector.
For example, if v2 was v repeated 2 times and I applied floor() and ceil() as my two functions, the result based on the above vector would be a column vector with values: [1; 2; 8; 9; 5; 6; 3; 4; 4; 5]. Preserving the order of the original values is important here as well. These values are also a simplified example, in practice, I'm generating vectors v with ~100,000 or more elements and would like to make my code as vectorizable as possible.
Since I'm coming to Eigen and C++ from Matlab, the simplest approach I first took was to just convert this Nx1 vector into an Nx2 matrix, apply floor to the first column and ceil to the second column, take the transpose to get a 2xN matrix and then exploit the column-major nature of the matrix and reshape the 2xN matrix into a 2Nx1 vector, yielding the result I want. However, for large vectors, this would be very slow and inefficient.
This response by ggael effectively addresses how I could repeat the elements in the input vector by generating a sequence of indices and indexing the input vector. I could just then generate more sequences of indices to apply my functions to the relevant elements v2 and copy the result back to their respective places. However, is this really the most efficient approach? I dont fully grasp copy-on-write and move semantics, but I think the second indexing expressions would be in a sense redundant?
If that is true, then my guess is that a solution here would be some sort of nullary or unary expression where I could define an expression that accepts the vector, some index k and k expressions/functions to apply to each element and spits out the vector I'm looking for. I've read the Eigen documentation on the subject, but I'm struggling to build a functional example. Any help would be appreciated!
So, if I understand you correctly, you don't want to replicate (in terms of Eigen methods) the vector, you want to apply different methods to the same elements and store the result for each, correct?
In this case, computing it sequentially once per function is the easiest route. Most CPUs can only do one (vector) memory store per clock cycle, anyway. So for simple unary or binary operations, your gains have an upper bound.
Still, you are correct that one load is technically always better than two and it is a limitation of Eigen that there is no good way of achieving this.
Know that even if you manually write a loop that would generate multiple outputs, you should limit yourself in the number of outputs. CPUs have a limited number of line-fill buffers. IIRC Intel recommended using less than 10 "output streams" in tight loops, otherwise you could stall the CPU on those.
Another aspect is that C++'s weak aliasing restrictions make it hard for compilers to vectorize code with multiple outputs. So it might even be detrimental.
How I would structure this code
Remember that Eigen is column-major, just like Matlab. Therefore use one column per output function. Or just use separate vectors to begin with.
Eigen::VectorXd v = ...;
Eigen::MatrixX2d out(v.size(), 2);
out.col(0) = v.array().floor();
out.col(1) = v.array().ceil();
Following the KISS principle, this is good enough. You will not gain much if anything by doing something more complicated. A bit of multithreading might gain you something (less than factor 2 I would guess) because a single CPU thread is not enough to max out memory bandwidth but that's about it.
Some benchmarking
This is my baseline:
int main()
{
int rows = 100013, repetitions = 100000;
Eigen::VectorXd v = Eigen::VectorXd::Random(rows);
Eigen::MatrixX2d out(rows, 2);
for(int i = 0; i < repetitions; ++i) {
out.col(0) = v.array().floor();
out.col(1) = v.array().ceil();
}
}
Compiled with gcc-11, -O3 -mavx2 -fno-math-errno I get ca. 5.7 seconds.
Inspecting the assembler code finds good vectorization.
Plain old C++ version:
double* outfloor = out.data();
double* outceil = outfloor + out.outerStride();
const double* inarr = v.data();
for(std::ptrdiff_t j = 0; j < rows; ++j) {
const double vj = inarr[j];
outfloor[j] = std::floor(vj);
outceil[j] = std::ceil(vj);
}
40 seconds instead of 5! This version actually does not vectorize because the compiler cannot prove that the arrays don't alias each other.
Next, let's use fixed size Eigen vectors to get the compiler to generate vectorized code:
double* outfloor = out.data();
double* outceil = outfloor + out.outerStride();
const double* inarr = v.data();
std::ptrdiff_t j;
for(j = 0; j + 4 <= rows; j += 4) {
const Eigen::Vector4d vj = Eigen::Vector4d::Map(inarr + j);
const auto floorval = vj.array().floor();
const auto ceilval = vj.array().ceil();
Eigen::Vector4d::Map(outfloor + j) = floorval;
Eigen::Vector4d::Map(outceil + j) = ceilval;;
}
if(j + 2 <= rows) {
const Eigen::Vector2d vj = Eigen::Vector2d::MapAligned(inarr + j);
const auto floorval = vj.array().floor();
const auto ceilval = vj.array().ceil();
Eigen::Vector2d::Map(outfloor + j) = floorval;
Eigen::Vector2d::Map(outceil + j) = ceilval;;
j += 2;
}
if(j < rows) {
const double vj = inarr[j];
outfloor[j] = std::floor(vj);
outceil[j] = std::ceil(vj);
}
7.5 seconds. The assembler looks fine, fully vectorized. I'm not sure why performance is lower. Maybe cache line aliasing?
Last attempt: We don't try to avoid re-reading the vector but we re-read it blockwise so that it will be in cache by the time we read it a second time.
const int blocksize = 64 * 1024 / sizeof(double);
std::ptrdiff_t j;
for(j = 0; j + blocksize <= rows; j += blocksize) {
const auto& vj = v.segment(j, blocksize);
auto outj = out.middleRows(j, blocksize);
outj.col(0) = vj.array().floor();
outj.col(1) = vj.array().ceil();
}
const auto& vj = v.tail(rows - j);
auto outj = out.bottomRows(rows - j);
outj.col(0) = vj.array().floor();
outj.col(1) = vj.array().ceil();
5.4 seconds. So there is some gain here but not nearly enough to justify the added complexity.
In my implementation of some equation I need to build a NXN diagonal matrix.I'm using vector of vectors for representing matrices. However the N is around 300000 so,
std::vector<std::vector<double> > new_matrix(300000,std::vector<double>(300000,0))
on running, gives me
terminate called after throwing an instance of 'std::bad_alloc'
what(): std::bad_alloc
Is this not possible due to memory limit?
The question can be answered generally: Dealing with large amounts of data in c++
In your case,
The error is due to insufficient contiguous heap memory for a
300,000 * 300,000 vector of double precision floating point numbers.
Maybe, a different container could be preferred that does not need contiguous memory like std::list. But wait, what would be the amount of memory needed for this?
300000 * 300000 * sizeof(double) =
300000 * 300000 * 8 =
720000000000 bytes =
703125000 KB =
686646 MB =
671 GB!
Unless you are working with a supercomputer, forget about this idea.
Back in the olden days, programmers had to come up with clever solutions to work within the limits of tiny RAM. Why not do it today? Let's start by digging patterns in your problem. You are working with a
Diagonal matrix:
A matrix having non-zero elements only in the diagonal running from
the upper left to the lower right
Therefore, you do not have to store the non-diagonal elements in the memory because it is guaranteed that those elements are 0. So the problem boils down to storing just the main diagonal elements (matrix[0][0], matrix[1][1],... matrix[n-1][n-1]), a total of n elements only. Now you can consider just 300000 elements, which is way shorter than 90000000000!
Calculating the memory for this:
300000 * sizeof(double) =
300000 * 8 =
2400000 bytes =
2344 KB =
2.3 MB!
As you can see, this approach has reduced our requirement from 670 GB to just 2 MB. It might still not work on some stack memory but it doesn't matter because we are dealing with heap memory (std::vector is a dynamic array).
Now that we have reduced the space complexity, it is just a matter of implementing this logic. But be careful to maintain this convention throughout while accessing, traversing, and storing the array.
For example:
#include <iostream>
#include <vector>
typedef std::vector<double> DiagonalMatrix;
int main()
{
// std::vector<std::vector<double>> new_matrix(300000, std::vector<double>(300000, 0));
DiagonalMatrix m(300000, 0);
// Store the main diagonal elements only
// Keep this convention in mind while using this implementation of DiagonalMatrix
return 0;
}
Edit:
To demonstrate this design and after your request in the comments, below is an implementation of the necessary logic:
// Product = DiagonalMatrix * Matrix
Matrix DiagonalMatrix::preMultiply(Matrix multiplier)
{
// Check if multiplication is possible
if (multiplier.r != this->n)
return Matrix();
// Product is the same as the multiplier where
// every element in the ith row of the multiplier is
// multiplied by the ith diagonal element of the diagonal matrix
Matrix& product = multiplier;
for (int i = 0; i < multiplier.r; ++i)
{
for (int j = 0; j < multiplier.c; ++j)
{
product.m[i][j] *= this->m[i];
}
}
return product;
}
// Product = Matrix * DiagonalMatrix
Matrix DiagonalMatrix::postMultiply(Matrix multiplier)
{
// Check if multiplication is possible
if (multiplier.c != this->n)
return Matrix();
// Product is the same as the multiplier where
// every element in the jth column of the multiplier is
// multiplied by the jth diagonal element of the diagonal matrix
Matrix& product = multiplier;
for (int j = 0; j < multiplier.c; ++j)
{
for (int i = 0; i < multiplier.r; ++i)
{
product.m[i][j] *= this->m[j];
}
}
return product;
}
I have to solve a problem when Given a grid size N x M , I have to find the number of parallelograms that "can be put in it", in such way that they every coord is an integer.
Here is my code:
/*
~Keep It Simple!~
*/
#include<fstream>
#define MaxN 2005
int N,M;
long long Paras[MaxN][MaxN]; // Number of parallelograms of Height i and Width j
long long Rects; // Final Number of Parallelograms
int cmmdc(int a,int b)
{
while(b)
{
int aux = b;
b = a -(( a/b ) * b);
a = aux;
}
return a;
}
int main()
{
freopen("paralelograme.in","r",stdin);
freopen("paralelograme.out","w",stdout);
scanf("%d%d",&N,&M);
for(int i=2; i<=N+1; i++)
for(int j=2; j<=M+1; j++)
{
if(!Paras[i][j])
Paras[i][j] = Paras[j][i] = 1LL*(i-2)*(j-2) + i*j - cmmdc(i-1,j-1) -2; // number of parallelograms with all edges on the grid + number of parallelograms with only 2 edges on the grid.
Rects += 1LL*(M-j+2)*(N-i+2) * Paras[j][i]; // each parallelogram can be moved in (M-j+2)(N-i+2) places.
}
printf("%lld", Rects);
}
Example : For a 2x2 grid we have 22 possible parallelograms.
My Algorithm works and it is correct, but I need to make it a little bit faster. I wanna know how is it possible.
P.S. I've heard that I should pre-process the greatest common divisor and save it in an array which would reduce the run-time to O(n*m), but I'm not sure how to do that without using the cmmdc ( greatest common divisor ) function.
Make sure N is not smaller than M:
if( N < M ){ swap( N, M ); }
Leverage the symmetry in your loops, you only need to run j from 2 to i:
for(int j=2; j<=min( i, M+1); j++)
you don't need an extra array Paras, drop it. Instead use a temporary variable.
long long temparas = 1LL*(i-2)*(j-2) + i*j - cmmdc(i-1,j-1) -2;
long long t1 = temparas * (M-j+2)*(N-i+2);
Rects += t1;
// check if the inverse case i <-> j must be considered
if( i != j && i <= M+1 ) // j <= N+1 is always true because of j <= i <= N+1
Rects += t1;
Replace this line: b = a -(( a/b ) * b); using the remainder operator:
b = a % b;
Caching the cmmdc results would probably be possible, you can initialize the array using sort of sieve algorithm: Create an 2d array indexed by a and b, put "2" at each position where a and b are multiples of 2, then put a "3" at each position where a and b are multiples of 3, and so on, roughly like this:
int gcd_cache[N][N];
void init_cache(){
for (int u = 1; u < N; ++u){
for (int i = u; i < N; i+=u ) for (int k = u; k < N ; k+=u ){
gcd_cache[i][k] = u;
}
}
}
Not sure if it helps a lot though.
The first comment in your code states "keep it simple", so, in the light of that, why not try solving the problem mathematically and printing the result.
If you select two lines of length N from your grid, you would find the number of parallelograms in the following way:
Select two points next to each other in both lines: there is (N-1)^2
ways of doing this, since you can position the two points on N-1
positions on each of the lines.
Select two points with one space between them in both lines: there is (N-2)^2 ways of doing this.
Select two points with two, three and up to N-2 spaces between them.
The resulting number of combinations would be (N-1)^2+(N-2)^2+(N-3)^2+...+1.
By solving the sum, we get the formula: 1/6*N*(2*N^2-3*N+1). Check WolframAlpha to verify.
Now that you have a solution for two lines, you simply need to multiply it by the number of combinations of order 2 of M, which is M!/(2*(M-2)!).
Thus, the whole formula would be: 1/12*N*(2*N^2-3*N+1)*M!/(M-2)!, where the ! mark denotes factorial, and the ^ denotes a power operator (note that the same sign is not the power operator in C++, but the bitwise XOR operator).
This calculation requires less operations that iterating through the matrix.
I use C++ and CUDA/C and want to write code for a specific problem and I ran into a quite tricky reduction problem.
My experience in parallel programming isn't negligible but quite limited and I cannot totally forsee the specificity of this problem.
I doubt there is a convenient or even "easy" way to handle the problems I am facing but perhaps I am wrong.
If there are any resources (i.e. articles, books, web-links, ...) or key-words covering this or similar problems, please let me know.
I tried to generalize the whole case as good as possible and keep it abstract instead of posting too much code.
The Layout ...
I have a system of N inital elements and N result elements. (I'll use N=8 for example but N can be any integral value greater than three.)
static size_t const N = 8;
double init_values[N], result[N];
I need to calculate almost every (not all i'm afraid) unique permutation of the init-values without self-interference.
This means calculation f(init_values[0],init_values[1]), f(init_values[0],init_values[2]), ..., f(init_values[0],init_values[N-1]), f(init_values[1],init_values[2]), ..., f(init_values[1],init_values[N-1]), ... and so on.
This is in fact a virtual triangular matrix which has the shape seen in the following illustration.
P 0 1 2 3 4 5 6 7
|---------------------------------------
0| x
|
1| 0 x
|
2| 1 2 x
|
3| 3 4 5 x
|
4| 6 7 8 9 x
|
5| 10 11 12 13 14 x
|
6| 15 16 17 18 19 20 x
|
7| 21 22 23 24 25 26 27 x
Each element is a function of the respective column and row elements in init_values.
P[i] (= P[row(i)][col(i]) = f(init_values[col(i)], init_values[row(i)])
i.e.
P[11] (= P[5][1]) = f(init_values[1], init_values[5])
There are (N*N-N)/2 = 28 possible, unique combinations (Note: P[1][5]==P[5][1], so we only have a lower (or upper) triangular matrix) using the example N = 8.
The basic problem
The result array is computed from P as a sum of the row elements minus the sum of the respective column elements.
For example the result at position 3 will be calculated as a sum of row 3 minus the sum of column three.
result[3] = (P[3]+P[4]+P[5]) - (P[9]+P[13]+P[18]+P[24])
result[3] = sum_elements_row(3) - sum_elements_column(3)
I tried to illustrate it in a picture with N = 4.
As a consequence the following is true:
N-1 operations (potential concurrent writes) will be performed on each result[i]
result[i] will have N-(i+1) writes from subtractions and i additions
Outgoing from each P[i][j] there will be a subtraction to r[j] and a addition to r[i]
This is where the main problems come into place:
Using one thread to compute each P and updating the result directly will result in multiple kernels trying to write to the same result location (N-1 threads each).
Storing the whole matrix P for a subsequent reduction step on the other hand is very expensive in terms of memory consumption and therefore impossible for very large systems.
The idea of having a unqiue, shared result vector for each thread-block is impossible, too.
(N of 50k makes 2.5 billion P elements and therefore [assuming a maximum number of 1024 threads per block] a minimal number of 2.4 million blocks consuming over 900GiB of memory if each block has its own result array with 50k double elements.)
I think I could handle reduction for a more static behaviour but this problem is rather dynamic in terms of potential concurrent memory write-access.
(Or is it possible to handle it by some "basic" type of reduction?)
Adding some complications ...
Unfortunatelly, depending on (arbitrary user) input, which is independant of the initial values, some elements of P need to be skipped.
Let's assume we need to skip permutations P[6], P[14] and P[18]. Therefore we have 24 combinations left, which need to be calculated.
How to tell the kernel which values need to be skipped?
I came up with three approaches, each having notable downsides if N is very large (like several ten thousands of elements).
1. Store all combinations ...
... with their respective row and column index struct combo { size_t row,col; };, that need to be calculated in a vector<combo> and operate on this vector. (used by the current implementation)
std::vector<combo> elements;
// somehow fill
size_t const M = elements.size();
for (size_t i=0; i<M; ++i)
{
// do the necessary computations using elements[i].row and elements[i].col
}
This solution consumes is consuming lots of memory since only "several" (may even be ten thousands of elements but that's not much in contrast to several billion in total) but it avoids
indexation computations
finding of removed elements
for each element of P which is the downside of the second approach.
2. Operate on all elements of P and find removed elements
If I want to operate on each element of P and avoid nested loops (which i couldn't reproduce very well in cuda) I need to do something like this:
size_t M = (N*N-N)/2;
for (size_t i=0; i<M; ++i)
{
// calculate row indices from `i`
double tmp = sqrt(8.0*double(i+1))/2.0 + 0.5;
double row_d = floor(tmp);
size_t current_row = size_t(row_d);
size_t current_col = size_t(floor(row_d*(ict-row_d)-0.5));
// check whether the current combo of row and col is not to be removed
if (!removes[current_row].exists(current_col))
{
// do the necessary computations using current_row and current_col
}
}
The vector removes is very small in contrast to the elements vector in the first example but the additional computations to obtain current_row, current_col and the if-branch are very inefficient.
(Remember we're still talking about billions of evaluations.)
3. Operate on all elements of P and remove elements afterwards
Another idea I had was to calculate all valid and invalid combinations independently.
But unfortunately, due to summation errors the following statement is true:
calc_non_skipped() != calc_all() - calc_skipped()
Is there a convenient, known, high performance way to get the desired results from the initial values?
I know that this question is rather complicated and perhaps limited in relevance. Nevertheless, I hope some illuminative answers will help me to solve my problems.
The current implementation
Currently this is implemented as CPU Code with OpenMP.
I first set up a vector of the above mentioned combos storing every P that needs to be computed and pass it to a parallel for loop.
Each thread is provided with a private result vector and a critical section at the end of the parallel region is used for a proper summation.
First, I was puzzled for a moment why (N**2 - N)/2 yielded 27 for N=7 ... but for indices 0-7, N=8, and there are 28 elements in P. Shouldn't try to answer questions like this so late in the day. :-)
But on to a potential solution: Do you need to keep the array P for any other purpose? If not, I think you can get the result you want with just two intermediate arrays, each of length N: one for the sum of the rows and one for the sum of the columns.
Here's a quick-and-dirty example of what I think you're trying to do (subroutine direct_approach()) and how to achieve the same result using the intermediate arrays (subroutine refined_approach()):
#include <cstdlib>
#include <cstdio>
const int N = 7;
const float input_values[N] = { 3.0F, 5.0F, 7.0F, 11.0F, 13.0F, 17.0F, 23.0F };
float P[N][N]; // Yes, I'm wasting half the array. This way I don't have to fuss with mapping the indices.
float result1[N] = { 0.0F, 0.0F, 0.0F, 0.0F, 0.0F, 0.0F, 0.0F };
float result2[N] = { 0.0F, 0.0F, 0.0F, 0.0F, 0.0F, 0.0F, 0.0F };
float f(float arg1, float arg2)
{
// Arbitrary computation
return (arg1 * arg2);
}
float compute_result(int index)
{
float row_sum = 0.0F;
float col_sum = 0.0F;
int row;
int col;
// Compute the row sum
for (col = (index + 1); col < N; col++)
{
row_sum += P[index][col];
}
// Compute the column sum
for (row = 0; row < index; row++)
{
col_sum += P[row][index];
}
return (row_sum - col_sum);
}
void direct_approach()
{
int row;
int col;
for (row = 0; row < N; row++)
{
for (col = (row + 1); col < N; col++)
{
P[row][col] = f(input_values[row], input_values[col]);
}
}
int index;
for (index = 0; index < N; index++)
{
result1[index] = compute_result(index);
}
}
void refined_approach()
{
float row_sums[N];
float col_sums[N];
int index;
// Initialize intermediate arrays
for (index = 0; index < N; index++)
{
row_sums[index] = 0.0F;
col_sums[index] = 0.0F;
}
// Compute the row and column sums
// This can be parallelized by computing row and column sums
// independently, instead of in nested loops.
int row;
int col;
for (row = 0; row < N; row++)
{
for (col = (row + 1); col < N; col++)
{
float computed = f(input_values[row], input_values[col]);
row_sums[row] += computed;
col_sums[col] += computed;
}
}
// Compute the result
for (index = 0; index < N; index++)
{
result2[index] = row_sums[index] - col_sums[index];
}
}
void print_result(int n, float * result)
{
int index;
for (index = 0; index < n; index++)
{
printf(" [%d]=%f\n", index, result[index]);
}
}
int main(int argc, char * * argv)
{
printf("Data reduction test\n");
direct_approach();
printf("Result 1:\n");
print_result(N, result1);
refined_approach();
printf("Result 2:\n");
print_result(N, result2);
return (0);
}
Parallelizing the computation is not so easy, since each intermediate value is a function of most of the inputs. You can compute the sums individually, but that would mean performing f(...) multiple times. The best suggestion I can think of for very large values of N is to use more intermediate arrays, computing subsets of the results, then summing the partial arrays to yield the final sums. I'd have to think about that one when I'm not so tired.
To cope with the skip issue: If it's a simple matter of "don't use input values x, y, and z", you can store x, y, and z in a do_not_use array and check for those values when looping to compute the sums. If the values to be skipped are some function of row and column, you can store those as pairs and check for the pairs.
Hope this gives you ideas for your solution!
Update, now that I'm awake: Dealing with "skip" depends a lot on what data needs to be skipped. Another possibility for the first case - "don't use input values x, y, and z" - a much faster solution for large data sets would be to add a level of indirection: create yet another array, this one of integer indices, and store only the indices of the good inputs. F'r instance, if invalid data is in inputs 2 and 5, the valid array would be:
int valid_indices[] = { 0, 1, 3, 4, 6 };
Interate over the array valid_indices, and use those indices to retrieve the data from your input array to compute the result. On the other paw, if the values to skip depend on both indices of the P array, I don't see how you can avoid some kind of lookup.
Back to parallelizing - No matter what, you'll be dealing with (N**2 - N)/2 computations
of f(). One possibility is to just accept that there will be contention for the sum
arrays, which would not be a big issue if computing f() takes substantially longer than
the two additions. When you get to very large numbers of parallel paths, contention will
again be an issue, but there should be a "sweet spot" balancing the number of parallel
paths against the time required to compute f().
If contention is still an issue, you can partition the problem several ways. One way is
to compute a row or column at a time: for a row at a time, each column sum can be
computed independently and a running total can be kept for each row sum.
Another approach would be to divide the data space and, thus, the computation into
subsets, where each subset has its own row and column sum arrays. After each block
is computed, the independent arrays can then be summed to produce the values you need
to compute the result.
This probably will be one of those naive and useless answers, but it also might help. Feel free to tell me that I'm utterly and completely wrong and I have misunderstood the whole affair.
So... here we go!
The Basic Problem
It seems to me that you can define you result function a little differently and it will lift at least some contention off your intermediate values. Let's suppose that your P matrix is lower-triangular. If you (virtually) fill the upper triangle with the negative of the lower values (and the main diagonal with all zeros,) then you can redefine each element of your result as the sum of a single row: (shown here for N=4, and where -i means the negative of the value in the cell marked as i)
P 0 1 2 3
|--------------------
0| x -0 -1 -3
|
1| 0 x -2 -4
|
2| 1 2 x -5
|
3| 3 4 5 x
If you launch independent threads (executing the same kernel) to calculate the sum of each row of this matrix, each thread will write a single result element. It seems that your problem size is large enough to saturate your hardware threads and keep them busy.
The caveat, of course, is that you'll be calculating each f(x, y) twice. I don't know how expensive that is, or how much the memory contention was costing you before, so I cannot judge whether this is a worthwhile trade-off to do or not. But unless f was really really expensive, I think it might be.
Skipping Values
You mention that you might have tens of thousands elements of the P matrix that you need to ignore in your calculations (effectively skip them.)
To work with the scheme I've proposed above, I believe you should store the skipped elements as (row, col) pairs, and you have to add the transposed of each coordinate pair too (so you'll have twice the number of skipped values.) So your example skip list of P[6], P[14] and P[18] becomes P(4,0), P(5,4), P(6,3) which then becomes P(4,0), P(5,4), P(6,3), P(0,4), P(4,5), P(3,6).
Then you sort this list, first based on row and then column. This makes our list to be P(0,4), P(3,6), P(4,0), P(4,5), P(5,4), P(6,3).
If each row of your virtual P matrix is processed by one thread (or a single instance of your kernel or whatever,) you can pass it the values it needs to skip. Personally, I would store all these in a big 1D array and just pass in the first and last index that each thread would need to look at (I would also not store the row indices in the final array that I passed in, since it can be implicitly inferred, but I think that's obvious.) In the example above, for N = 8, the begin and end pairs passed to each thread will be: (note that the end is one past the final value needed to be processed, just like STL, so an empty list is denoted by begin == end)
Thread 0: 0..1
Thread 1: 1..1 (or 0..0 or whatever)
Thread 2: 1..1
Thread 3: 1..2
Thread 4: 2..4
Thread 5: 4..5
Thread 6: 5..6
Thread 7: 6..6
Now, each thread goes on to calculate and sum all the intermediate values in a row. While it is stepping through the indices of columns, it is also stepping through this list of skipped values and skipping any column number that comes up in the list. This is obviously an efficient and simple operation (since the list is sorted by column too. It's like merging.)
Pseudo-Implementation
I don't know CUDA, but I have some experience working with OpenCL, and I imagine the interfaces are similar (since the hardware they are targeting are the same.) Here's an implementation of the kernel that does the processing for a row (i.e. calculates one entry of result) in pseudo-C++:
double calc_one_result (
unsigned my_id, unsigned N, double const init_values [],
unsigned skip_indices [], unsigned skip_begin, unsigned skip_end
)
{
double res = 0;
for (unsigned col = 0; col < my_id; ++col)
// "f" seems to take init_values[column] as its first arg
res += f (init_values[col], init_values[my_id]);
for (unsigned row = my_id + 1; row < N; ++row)
res -= f (init_values[my_id], init_values[row]);
// At this point, "res" is holding "result[my_id]",
// including the values that should have been skipped
unsigned i = skip_begin;
// The second condition is to check whether we have reached the
// middle of the virtual matrix or not
for (; i < skip_end && skip_indices[i] < my_id; ++i)
{
unsigned col = skip_indices[i];
res -= f (init_values[col], init_values[my_id]);
}
for (; i < skip_end; ++i)
{
unsigned row = skip_indices[i];
res += f (init_values[my_id], init_values[row]);
}
return res;
}
Note the following:
The semantics of init_values and function f are as described by the question.
This function calculates one entry in the result array; specifically, it calculates result[my_id], so you should launch N instances of this.
The only shared variable it writes to is result[my_id]. Well, the above function doesn't write to anything, but if you translate it to CUDA, I imagine you'd have to write to that at the end. However, no one else writes to that particular element of result, so this write will not cause any contention of data race.
The two input arrays, init_values and skipped_indices are shared among all the running instances of this function.
All accesses to data are linear and sequential, except for the skipped values, which I believe is unavoidable.
skipped_indices contain a list of indices that should be skipped in each row. It's contents and structure are as described above, with one small optimization. Since there was no need, I have removed the row numbers and left only the columns. The row number will be passed into the function as my_id anyways and the slice of the skipped_indices array that should be used by each invocation is determined using skip_begin and skip_end.
For the example above, the array that is passed into all invocations of calc_one_result will look like this:[4, 6, 0, 5, 4, 3].
As you can see, apart from the loops, the only conditional branch in this code is skip_indices[i] < my_id in the third for-loop. Although I believe this is innocuous and totally predictable, even this branch can be easily avoided in the code. We just need to pass in another parameter called skip_middle that tells us where the skipped items cross the main diagonal (i.e. for row #my_id, the index at skipped_indices[skip_middle] is the first that is larger than my_id.)
In Conclusion
I'm by no means an expert in CUDA and HPC. But if I have understood your problem correctly, I think this method might eliminate any and all contentions for memory. Also, I don't think this will cause any (more) numerical stability issues.
The cost of implementing this is:
Calling f twice as many times in total (and keeping track of when it is called for row < col so you can multiply the result by -1.)
Storing twice as many items in the list of skipped values. Since the size of this list is in the thousands (and not billions!) it shouldn't be much of a problem.
Sorting the list of skipped values; which again due to its size, should be no problem.
(UPDATE: Added the Pseudo-Implementation section.)