Memory leak in C++ when performing shift operations in loop - c++

I managed to reduce the problem to the following code, which uses almost 500MB of memory when it runs on my laptop - which in turn causes a std::bad_alloc in the full program. What is the problem here? As far as I can see, the unordered map only uses something like (32+32)*4096*4096 bits = 134.2MB, which is not even close to what the program uses.
#include<iostream>
#include<unordered_map>
using namespace std;
int main()
{
unordered_map<int,int> a;
long long z = 0;
for (int x = 0; x < 4096; x++)
{
for (int y = 0; y < 4096; y++)
{
z = 0;
for (int j = 0; j < 4; j++)
{
z ^= ((x>>(3*j))%8)<<(3*j);
z ^= ((y>>(3*j))%8)<<(3*j + 12);
}
a[z]++;
}
}
return 0;
}
EDIT: I'm aware that some of the bit shifting here can cause undefined behaviour, but I'm 99% sure that's not what's the problem.
EDIT2: What I need is essentially to count the number of x in a given set that some function maps to each y in a second set (of size 4096*4096). Would it be better to perhaps store these numbers in an array? I.e I have a function f: A to B, and I need to know the size of the set {x in A : f(x) = y} for each y in B. In this case A and B are both the set of non-negative integers less than 2^12=4096. (Ideally I would like to extend this to 2^32).

... which uses almost 500MB of memory ... What is the problem here?
There isn't really a problem, per se, regarding the memory usage you are observing. std::unordered_map is built to run fast for large number of elements. As such, memory isn't a top priority. For example, in order to optimize for resizing, it often allocates upon creation for some pre-calculated hash chains. Also, your measure of the the count of elements multiplied by the element's size is not taking into account the actual memory-footprint, data structure-wise, of each node in this map -- which should at least involve a few pointers to adjacent elements in the list of its bucket.
Having said that, it isn't clear you even need to use std::unorderd_map in this scenario. Instead, given the mapping your trying store is defined as
{x in A : f(x) = y} for each y in B
you could have one fixed-sized array (use std::array for that) that would simply hold for each index i, representing the element in set B, the number of elements from set A that fills the criteria.

Related

Efficient algorithm to produce closest triplet from 3 arrays?

I need to implement an algorithm in C++ that, when given three arrays of unequal sizes, produces triplets a,b,c (one element contributed by each array) such that max(a,b,c) - min(a,b,c) is minimized. The algorithm should produce a list of these triplets, in order of size of max(a,b,c)-min(a,b,c). The arrays are sorted.
I've implemented the following algorithm (note that I now use arrays of type double), however it runs excruciatingly slow (even when compiled using GCC with -03 optimization, and other combinations of optimizations). The dataset (and, therefore, each array) has potentially tens of millions of elements. Is there a faster/more efficient method? A significant speed increase is necessary to accomplish the required task in a reasonable time frame.
void findClosest(vector<double> vec1, vector<double> vec2, vector<double> vec3){
//calculate size of each array
int len1 = vec1.size();
int len2 = vec2.size();
int len3 = vec3.size();
int i = 0; int j = 0; int k = 0; int res_i, res_j, res_k;
int diff = INT_MAX;
int iter = 0; int iter_bound = min(min(len1,len2),len3);
while(iter < iter_bound)
while(i < len1 && j < len2 && k < len3){
int minimum = min(min(vec1[i], vec2[j]), vec3[k]);
int maximum = max(max(vec1[i], vec2[j]), vec3[k]);
//if new difference less than previous difference, update difference, store
//resultants
if(fabs(maximum - minimum) < diff){ diff = maximum-minimum; res_i = i; res_j = j; res_k = k;}
//increment minimum value
if(vec1[i] == minimum) ++i;
else if(vec2[j] == minimum) ++j;
else ++k;
}
//"remove" triplet
vec1.erase(vec1.begin() + res_i);
vec2.erase(vec2.begin() + res_j);
vec3.erase(vec3.begin() + res_k);
--len1; --len2; --len3;
++iter_bound;
}
OK, you're going to need to be clever in a few ways to make this run well.
The first thing that you need is a priority queue, which is usually implemented with a heap. With that, the algorithm in pseudocode is:
Make a priority queue for possible triples in order of max - min, then how close median is to their average.
Make a pass through all 3 arrays, putting reasonable triples for every element into the priority queue
While the priority queue is not empty:
Pull a triple out
If all three of the triple are not used:
Add triple to output
Mark the triple used
else:
If you can construct reasonable triplets for unused elements:
Add them to the queue
Now for this operation to succeed, you need to efficiently find elements that are currently unused. Doing that at first is easy, just keep an array of bools where you mark off the indexes of the used values. But once a lot have been taken off, your search gets long.
The trick for that is to have a vector of bools for individual elements, a second for whether both in a pair have been used, a third for where all 4 in a quadruple have been used and so on. When you use an element just mark the individual bool, then go up the hierarchy, marking off the next level if the one you're paired with is marked off, else stopping. This additional data structure of size 2n will require an average of marking 2 bools per element used, but allows you to find the next unused index in either direction in at most O(log(n)) steps.
The resulting algorithm will be O(n log(n)).

Initializing large 2-dimensional array to all one value in C++

I want to initialize a large 2-dimensional array (say 1000x1000, though I'd like to go even larger) to all -1 in C++.
If my array were 1-dimensional, I know I could do:
int my_array[1000];
memset(my_array, -1, sizeof(my_array));
However, memset does not allow for initializing all the elements of an array to be another array. I know I could just make a 1-dimensional array of length 1000000, but for readability's sake I would prefer a 2-dimensional array. I could also just loop through the 2-dimensional array to set the values after initializing it to all 0, but this bit of code will be run many times in my program and I'm not sure how fast that would be. What's the best way of achieving this?
Edited to add minimal reproducible example:
int my_array[1000][1000];
// I want my_array[i][j] to be -1 for each i, j
I am a little bit surprised.
And I know, it is C++. And, I would never use plain C-Style arrays.
And therefore the accepted answer is maybe the best.
But, if we come back to the question
int my_array[1000];
memset(my_array, -1, sizeof(my_array));
and
int my_array[1000][1000];
// I want my_array[i][j] to be -1 for each i, j
Then the easiest and fastest solution is the same as the original assumption:
int my_array[1000][1000];
memset(my_array, -1, sizeof(my_array));
There is no difference. The compiler will even optimze this away and use fast assembler loop instructions.
Sizeof is smart enough. It will do the trick. And the memory is contiguous: So, it will work. Fast. Easy.
(A good compiler will do the same optimizations for the other solutions).
Please consider.
With GNU GCC you can:
int my_array[1000][1000] = { [0 .. 999] = { [0 .. 999] = -1, }, };
With any other compiler you need to:
int my_array[1000][1000] = { { -1, -1, -1, .. repeat -1 1000 times }, ... repeat { } 1000 times ... };
Side note: The following is doing assignment, not initialization:
int my_array[1000][1000];
for (auto&& i : my_array)
for (auto&& j : i)
j = -1;
Is there any real difference between doing what you wrote and doing for(int i=0; i<1000; i++){ for(int j=0; j<1000; j++){ my_array[i][j]=-1; } }?
It depends. If you have a bad compiler, you compile without optimization, etc., then yes. Most probably, no. Anyway, don't use indexes. I believe the range based for loop in this case roughly translates to something like this:
for (int (*i)[1000] = my_array; i < my_array + 1000; ++i)
for (int *j = *i; j < *i + 1000; ++j)
*j = -1;
Side note: Ach! It hurts to calculate my_array + 1000 and *i + 1000 each loop. That's like 3 operations done each loop. This cpu time wasted! It can be easily optimized to:
for (int (*i)[1000] = my_array, (*max_i)[1000] = my_array + 10000; i < max_i; ++i)
for (int *j = *i, *max_j = *i + 1000; j < max_j; ++j)
*j = -1;
The my_array[i][j] used in your loop, translates into *(*(my_array + i) + j) (see aarray subscript operator). That from pointer arithmetics is equal to *(*((uintptr_t)my_array + i * sizeof(int**)) + j * sizeof(int*)). Counting operations, my_array[i][j] is behind the scenes doing multiplication, addition, dereference, multiplication, addition, derefence - like six operations. (When using bad or non-optimizing compiler), your version could be way slower.
That said, a good compiler should optimize each version to the same code, as shown here.
And are either of these significantly slower than just initializing it explicitly by typing a million -1's?
I believe assigning each array element (in this particular case of elements having the easy to optimize type int) will be as fast or slower then initialization. It really depends on your particular compiler and on your architecture. A bad compiler can do very slow version of iterating over array elements, so it would take forever. On the other hand a static initialization can embed the values in your program, so your program size will increase by sizeof(int) * 1000 * 1000, and during program startup is will do plain memcpy when initializing static regions for your program. So, when compared to a properly optimized loop with assignment, you will not gain nothing in terms of speed and loose tons of read-only memory.
If the array is static, it's placed in sequential memory (check this question). So char [1000][1000] is equal to char [1000000] (if your stack can hold that much).
If the array has been created with multidimensional new (say char(*x)[5] = new char[5][5]) then it's also contiguous.
If it's not (if you create it with dynamic allocations), then you can use the solutions found in my question to map a n-dimension array to a single one after you have memsetd it.

Use map instead of array in C++ to protect searching outside of array bounds?

I have a gridded rectangular file that I have read into an array. This gridded file contains data values and NODATA values; the data values make up a continuous odd shape inside of the array, with NODATA values filling in the rest to keep the gridded file rectangular. I perform operations on the data values and skip the NODATA values.
The operations I perform on the data values consist of examining the 8 surrounding neighbors (the current cell is the center of a 3x3 grid). I can handle when any of the eight neighbors are NODATA values, but when actual data values fall in the first or last row/column, I trigger an error by trying to access an array value that doesn't exist.
To get around this I have considered three options:
Add a new first and last row/column with NODATA values, and adjust my code accordingly - I can cycle through the internal 'original' array and handle the new NODATA values like the edges I'm already handling that don't fall in the first and last row/column.
I can create specific processes for handling the cells in first and last row/column that have data - modified for loops (a for loop that steps through a specific sequence/range) that only examine the surrounding cells that exist, though since I still need 8 neighboring values (NODATA/non-existent cells are given the same value as the central cell) I would have to copy blank/NODATA values to a secondary 3x3 grid. Though there maybe a way to avoid the secondary grid. This solution is annoying as I have to code up specialized routines to all corner cells (4 different for loops) and any cell in the 1st or last row/column (another 4 different for loops). With a single for loop for any non-edge cell.
Use a map, which based on my reading, appears capable of storing the original array while letting me search for locations outside the array without triggering an error. In this case, I still have to give these non-existent cells a value (equal to the center of the array) and so may or may not have to set up a secondary 3x3 grid as well; once again there maybe a way to avoid the secondary grid.
Solution 1 seems the simplest, solution 3 the most clever, and 2 the most annoying. Are there any solutions I'm missing? Or does one of these solutions deserve to be the clear winner?
My advice is to replace all read accesses to the array by a function. For example, arr[i][j] by getarr(i,j). That way, all your algorithmic code stays more or less unchanged and you can easily return NODATA for indices outside bounds.
But I must admit that it is only my opinion.
I've had to do this before and the fastest solution was to expand the region with NODATA values and iterate over the interior. This way the core loop is simple for the compiler to optimize.
If this is not a computational hot-spot in the code, I'd go with Serge's approach instead though.
To minimize rippling effects I used an array structure with explicit row/column strides, something like this:
class Grid {
private:
shared_ptr<vector<double>> data;
int origin;
int xStride;
int yStride;
public:
Grid(int nx, int ny) :
data( new vector<double>(nx*ny) ),
origin(0),
xStride(1),
yStride(nx) {
}
Grid(int nx, int ny, int padx, int pady) :
data( new vector<double>((nx+2*padx)*(ny+2*pady));
xStride(1),
yStride(nx+2*padx),
origin(nx+3*padx) {
}
double& operator()(int x, int y) {
return (*data)[origin + x*xStride + y*yStride];
}
}
Now you can do
Grid g(5,5,1,1);
Grid g2(5,5);
//Initialise
for(int i=0; i<5; ++i) {
for(int j=0; j<5; ++j) {
g(i,j)=i+j;
}
}
// Convolve (note we don't care about going outside the
// range, and our indices are unchanged between the two
// grids.
for(int i=0; i<5; ++i) {
for(int j=0; j<5; ++j) {
g2(i,j)=0;
g2(i,j)+=g(i-1,j);
g2(i,j)+=g(i+1,j);
g2(i,j)+=g(i,j-1);
g2(i,j)+=g(i,j+1);
}
}
Aside: This data structure is awesome for working with transposes, and sub-matrices. Each of those is just an adjustment of the offset and stride values.
Solution 1 is the standard solution. It takes maximum advantage of modern computer architectures, where a few bytes of memory are no big deal, and correct instruction prediction accelerates performance. As you keep accessing memory in a predictable pattern (with fixed strides), the CPU prefetcher will successfully read ahead.
Solution 2 saves a small amount of memory, but the special handling of the edges incurs a real slowdown. Still, the large chunk in the middle benefits from the prefetcher.
Solution 3 is horrible. Map access is O(log N) instead of O(1), and in practice it can be 10-20 times slower. Maps have poor locality of reference; the CPU prefetcher will not kick in.
If simple means "easy to read" I'd recommend you declare a class with an overloaded [] operator. Use it like a regular array but it'll have bounds checking to handle NODATA.
If simple means "high performance" and you have sparse grid with isolated DATA consider implementing linked lists to the DATA values and implement optimal operators that go directly to tge DATA values.
1 wastes memory proportional to your overall rectangle size, 3/maps are clumsy here, 2 is actually very easy to do:
T d[X][Y] = ...;
for (int x = 0; x < X; ++x)
for (int y = 0; y < Y; ++y) // move over d[x][y] centres
{
T r[3][3] = { { d[i,j], d[i,j], d[i,j] },
d[i,j], d[i,j], d[i,j] },
d[i,j], d[i,j], d[i,j] } };
for (int i = std::min(0, x-1); i < std::max(X-1, x+1); ++i)
for (int j = std::min(0, y-1); j < std::max(Y-1, y+1); ++j)
if (d[i][j] != NoData)
r[i-x][j-y] = d[i][j];
// use r for whatever...
}
Note that I'm using signed int very deliberately so x-1 and y-1 don't become huge positive numbers (as they would with say size_t) and break the std::min logic... but you could express it differently if you had some reason to prefer size_t (e.g. x == 0 ? 0 : x - 1).

Efficient layout and reduction of virtual 2d data (abstract)

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.)

Long array performance issue

I have an array of char pointers of length 175,000. Each pointer points to a c-string array of length 100, each character is either 1 or 0. I need to compare the difference between the strings.
char* arr[175000];
So far, I have two for loops where I compare every string with every other string. The comparison functions basically take two c-strings and returns an integer which is the number of differences of the arrays.
This is taking really long on my 4-core machine. Last time I left it to run for 45min and it never finished executing. Please advise of a faster solution or some optimizations.
Example:
000010
000001
have a difference of 2 since the last two bits do not match.
After i calculate the difference i store the value in another array
int holder;
for(int x = 0;x < UsedTableSpace; x++){
int min = 10000000;
for(int y = 0; y < UsedTableSpace; y++){
if(x != y){
//compr calculates difference between two c-string arrays
int tempDiff =compr(similarity[x]->matrix, similarity[y]->matrix);
if(tempDiff < min){
min = tempDiff;
holder = y;
}
}
}
similarity[holder]->inbound++;
}
With more information, we could probably give you better advice, but based on what I understand of the question, here are some ideas:
Since you're using each character to represent a 1 or a 0, you're using several times more memory than you need to use, which creates a big performance impact when it comes to caching and such. Instead, represent your data using numeric values that you can think of in terms of a series of bits.
Once you've implemented #1, you can grab an entire integer or long at a time and do a bitwise XOR operation to end up with a number that has a 1 in every place where the two numbers didn't have the same values. Then you can use some of the tricks mentioned here to count these bits speedily.
Work on "unrolling" your loops somewhat to avoid the number of jumps necessary. For example, the following code:
total = total + array[i];
total = total + array[i + 1];
total = total + array[i + 2];
... will work faster than just looping over total = total + array[i] three times. Jumps are expensive, and interfere with the processor's pipelining. Update: I should mention that your compiler may be doing some of this for you already--you can check the compiled code to see.
Break your overall data set into chunks that will allow you to take full advantage of caching. Think of your problem as a "square" with the i index on one axis and the j axis on the other. If you start with one i and iterate across all 175000 j values, the first j values you visit will be gone from the cache by the time you get to the end of the line. On the other hand, if you take the top left corner and go from j=0 to 256, most of the values on the j axis will still be in a low-level cache as you loop around to compare them with i=0, 1, 2, etc.
Lastly, although this should go without saying, I guess it's worth mentioning: Make sure your compiler is set to optimize!
One simple optimization is to compare the strings only once. If the difference between A and B is 12, the difference between B and A is also 12. Your running time is going to drop almost half.
In code:
int compr(const char* a, const char* b) {
int d = 0, i;
for (i=0; i < 100; ++i)
if (a[i] != b[i]) ++d;
return d;
}
void main_function(...) {
for(int x = 0;x < UsedTableSpace; x++){
int min = 10000000;
for(int y = x + 1; y < UsedTableSpace; y++){
//compr calculates difference between two c-string arrays
int tempDiff = compr(similarity[x]->matrix, similarity[y]->matrix);
if(tempDiff < min){
min = tempDiff;
holder = y;
}
}
similarity[holder]->inbound++;
}
}
Notice the second-th for loop, I've changed the start index.
Some other optimizations is running the run method on separate threads to take advantage of your 4 cores.
What is your goal, i.e. what do you want to do with the Hamming Distances (which is what they are) after you've got them? For example, if you are looking for the closest pair, or most distant pair, you probably can get an O(n ln n) algorithm instead of the O(n^2) methods suggested so far. (At n=175000, n^2 is 15000 times larger than n ln n.)
For example, you could characterize each 100-bit number m by 8 4-bit numbers, being the number of bits set in 8 segments of m, and sort the resulting 32-bit signatures into ascending order. Signatures of the closest pair are likely to be nearby in the sorted list. It is easy to lower-bound the distance between two numbers if their signatures differ, giving an effective branch-and-bound process as less-distant numbers are found.