mirror of
https://github.com/TREX-CoE/Sherman-Morrison.git
synced 2024-11-03 20:54:08 +01:00
93 lines
3.3 KiB
C
93 lines
3.3 KiB
C
#include <assert.h>
|
|
#include "data_cm.h"
|
|
#include "meuk.h"
|
|
|
|
#define REPETITIONS 10000000
|
|
int main(int argc, char **argv) {
|
|
|
|
assert(argc == 3);
|
|
char *version = argv[1];
|
|
char *number_of_updates = argv[2];
|
|
const uint64_t Dim = 21;
|
|
const uint64_t LDS = 24;
|
|
// const double breakdown = 1e-3;
|
|
const double breakdown = 1e-9; // this might be too small and cause NIs
|
|
uint32_t rc;
|
|
|
|
const uint64_t *N_updates;
|
|
const double *Updates;
|
|
const uint64_t *Updates_index;
|
|
double *Slater, *Slater_invT;
|
|
double determinant;
|
|
if (number_of_updates[0] == '2') { // 2 Updates
|
|
N_updates = &N_updates2;
|
|
Updates = &Updates2[0];
|
|
Updates_index = &Updates_index2[0];
|
|
Slater = &Slater2[0];
|
|
Slater_invT = &Slater_invT2[0]; // Slater_inv in QMC=Chem is actually its transpose
|
|
determinant = determinant2;
|
|
} else if (number_of_updates[0] == '3') { // 3 Updates
|
|
N_updates = &N_updates3;
|
|
Updates = &Updates3[0];
|
|
Updates_index = &Updates_index3[0];
|
|
Slater = &Slater3[0];
|
|
Slater_invT = &Slater_invT3[0];
|
|
determinant = determinant3;
|
|
} else if (number_of_updates[0] == '5') { // 5 Updates
|
|
N_updates = &N_updates5;
|
|
Updates = &Updates5[0];
|
|
Updates_index = &Updates_index5[0];
|
|
Slater = &Slater5[0];
|
|
Slater_invT = &Slater_invT5[0];
|
|
determinant = determinant5;
|
|
} else { // Exit
|
|
printf("Incorrect number of updates given\n");
|
|
return 1;
|
|
}
|
|
|
|
rc = check_residual(LDS, Dim, Slater_invT, Slater);
|
|
assert(rc == 0 && "check_residual()");
|
|
rc = test_kernel(version, LDS, Dim, *N_updates, Updates, Updates_index,
|
|
breakdown, Slater, Slater_invT, &determinant);
|
|
assert(rc == 0 && "test_kernel()");
|
|
|
|
// EVERYTHING WORKS UP UNTILL HERE
|
|
|
|
uint64_t before = rdtsc();
|
|
if (version[0] == 'a') { // Anthony
|
|
for (int i = 0; i < REPETITIONS; i++) {
|
|
const double* Upds;
|
|
const uint64_t* Ui;
|
|
for (int j = 0; j < *N_updates; j++) {
|
|
Upds = &Updates[j*LDS];
|
|
Ui = &Updates_index[j];
|
|
detupd(Dim, LDS, Upds, Ui, Slater_invT, &determinant);
|
|
}
|
|
}
|
|
} else if (version[0] == 'n') { // Naive
|
|
for (int i = 0; i < REPETITIONS; i++) {
|
|
rc = qmckl_sherman_morrison(LDS, Dim, *N_updates, Updates,
|
|
Updates_index, breakdown, Slater_invT, &determinant);
|
|
if (rc != 0) printf("qmckl_sherman_morrison failed\n");
|
|
}
|
|
} else if (version[0] == 's') { // Splitting
|
|
for (int i = 0; i < REPETITIONS; i++) {
|
|
rc = qmckl_sherman_morrison_splitting(LDS, Dim, *N_updates, Updates,
|
|
Updates_index, breakdown, Slater_invT, &determinant);
|
|
if (rc != 0) printf("qmckl_sherman_morrison_splitting failed\n");
|
|
}
|
|
} else if (version[0] == 'b') { // Blocked
|
|
for (int i = 0; i < REPETITIONS; i++) {
|
|
// rc = qmckl_woodbury_2(LDS, Dim, Updates, Updates_index,
|
|
// breakdown, Slater_inv, &determinant);
|
|
// rc = qmckl_woodbury_3(LDS, Dim, Updates, Updates_index,
|
|
// breakdown, Slater_inv, &determinant);
|
|
rc = qmckl_sherman_morrison_smw32s(LDS, Dim, *N_updates, Updates,
|
|
Updates_index, breakdown, Slater_invT, &determinant);
|
|
if (rc != 0) printf("qmckl_sherman_morrison_smw32s failed\n");
|
|
}
|
|
}
|
|
uint64_t after = rdtsc();
|
|
printf("cycles = %f\n", ((double)(after - before) / (double) REPETITIONS));
|
|
}
|