mirror of
https://github.com/TREX-CoE/Sherman-Morrison.git
synced 2024-08-25 14:41:45 +02:00
Optimize WB2 by inlining matmuls and simplifying copies
This commit is contained in:
parent
61df6e2827
commit
c30967e63d
@ -179,7 +179,7 @@ void SMWB1(double *Slater_inv, unsigned int Dim, unsigned int N_updates, double
|
||||
|
||||
// Sherman-Morrison-Woodbury kernel 4
|
||||
// WB2, SM2 mixing scheme
|
||||
void SMWB4(double *Slater_inv, unsigned int Dim, unsigned int N_updates, double *Updates, unsigned int *Updates_index) {
|
||||
void SMWB4(double *Slater_inv, const unsigned int Dim, const unsigned int N_updates, double *Updates, unsigned int *Updates_index) {
|
||||
#ifdef DEBUG2
|
||||
std::cerr << "Called Sherman-Morrison-Woodbury kernel 1 with " << N_updates << " updates" << std::endl;
|
||||
showMatrix2(Updates_index, 1, N_updates, "Updates_index");
|
||||
|
@ -25,15 +25,8 @@ bool WB2(double *Slater_inv, unsigned int Dim, double *Updates,
|
||||
std::cerr << "Called Woodbury 2x2 kernel" << std::endl;
|
||||
#endif
|
||||
|
||||
// Compute D = V.S^{-1}
|
||||
double D[2 * Dim];
|
||||
unsigned int row1, row2;
|
||||
row1 = Updates_index[0] - 1;
|
||||
row2 = Updates_index[1] - 1;
|
||||
for (unsigned int i = 0; i < Dim; i++) {
|
||||
D[i] = Slater_inv[row1 * Dim + i];
|
||||
D[Dim + i] = Slater_inv[row2 * Dim + i];
|
||||
}
|
||||
const unsigned int row1 = (Updates_index[0] - 1);
|
||||
const unsigned int row2 = (Updates_index[1] - 1);
|
||||
|
||||
// Compute C = S_inv * U !! NON-STANDARD MATRIX MULTIPLICATION BECAUSE
|
||||
// OF LAYOUT OF 'Updates' !!
|
||||
@ -72,17 +65,21 @@ bool WB2(double *Slater_inv, unsigned int Dim, double *Updates,
|
||||
Binv[2] = -1.0 * idet * B[2];
|
||||
Binv[3] = idet * B[0];
|
||||
|
||||
// Compute B^{-1} x D
|
||||
// Compute tmp = B^{-1} x (V.S^{-1})
|
||||
double tmp[2 * Dim];
|
||||
matMul2(Binv, D, tmp, 2, 2, Dim);
|
||||
for(unsigned int i = 0; i < 2; i++) {
|
||||
for(unsigned int j = 0; j < Dim; j++) {
|
||||
tmp[i * Dim + j] = Binv[i * 2] * Slater_inv[row1*Dim + j];
|
||||
tmp[i * Dim + j] += Binv[i * 2 + 1] * Slater_inv[row2*Dim + j];
|
||||
}
|
||||
}
|
||||
|
||||
// Compute C x B^{-1} x D
|
||||
double tmp2[Dim * Dim];
|
||||
matMul2(C, tmp, tmp2, Dim, 2, Dim);
|
||||
|
||||
// Compute (S + U V)^{-1} = S^{-1} - C B^{-1} D
|
||||
for (unsigned int i = 0; i < Dim * Dim; i++) {
|
||||
Slater_inv[i] -= tmp2[i];
|
||||
// Compute (S + U V)^{-1} = S^{-1} - C x tmp
|
||||
for(unsigned int i = 0; i < Dim; i++) {
|
||||
for(unsigned int j = 0; j < Dim; j++) {
|
||||
Slater_inv[i * Dim + j] -= C[i * 2 ] * tmp[j];
|
||||
Slater_inv[i * Dim + j] -= C[i * 2 + 1] * tmp[Dim + j];
|
||||
}
|
||||
}
|
||||
|
||||
return true;
|
||||
|
@ -7,7 +7,7 @@
|
||||
#include "Woodbury.hpp"
|
||||
#include "SMWB.hpp"
|
||||
|
||||
// #define PERF
|
||||
#define PERF
|
||||
|
||||
#ifdef PERF
|
||||
unsigned int repetition_number;
|
||||
@ -186,7 +186,7 @@ int main(int argc, char **argv) {
|
||||
if (argc != 6) {
|
||||
#else
|
||||
if (argc != 5) {
|
||||
#endif
|
||||
#endif
|
||||
std::cerr << "Execute from within 'datasets/'" << std::endl;
|
||||
std::cerr
|
||||
<< "usage: test_h5 <version> <start cycle> <stop cycle> <tolerance>"
|
||||
|
Loading…
Reference in New Issue
Block a user