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/* Ergo, version 3.8.2, a program for linear scaling electronic structure
* calculations.
* Copyright (C) 2023 Elias Rudberg, Emanuel H. Rubensson, Pawel Salek,
* and Anastasia Kruchinina.
*
* This program is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* This program is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with this program. If not, see <http://www.gnu.org/licenses/>.
*
* Primary academic reference:
* Ergo: An open-source program for linear-scaling electronic structure
* calculations,
* Elias Rudberg, Emanuel H. Rubensson, Pawel Salek, and Anastasia
* Kruchinina,
* SoftwareX 7, 107 (2018),
* <http://dx.doi.org/10.1016/j.softx.2018.03.005>
*
* For further information about Ergo, see <http://www.ergoscf.org>.
*/
/* This file belongs to the template_lapack part of the Ergo source
* code. The source files in the template_lapack directory are modified
* versions of files originally distributed as CLAPACK, see the
* Copyright/license notice in the file template_lapack/COPYING.
*/
#include <stdexcept>
#include <iostream>
#include <math.h>
#include <string.h>
#include <pthread.h>
#include <vector>
#include "template_lapack_common.h"
typedef double realtype;
pthread_mutex_t mutex = PTHREAD_MUTEX_INITIALIZER;
#if 0
static void output_matrix(int n, const realtype* A, const char* name)
{
std::cout << "output_matrix for matrix '" << name << "'\n";
for(int i = 0; i < n; i++)
{
for(int j = 0; j < n; j++)
std::cout << " " << A[i*n+j];
std::cout << std::endl;
}
}
#endif
static void*
thread_func(void* arg)
{
for(int loop_k = 0; loop_k < 4444; loop_k++) {
realtype A[4];
A[0] = 1.3; A[1] = 2.4;
A[2] = 1.1; A[3] = 2.7;
realtype B[4];
B[0] = 0.3; B[1] = 0.4;
B[2] = 0.1; B[3] = 0.7;
realtype C[4];
C[0] = 0; C[1] = 0;
C[2] = 0; C[3] = 0;
int m = 2;
int n = 2;
int k = 2;
realtype alpha = 1.0;
realtype beta = 0.0;
template_blas_gemm("N", "N", &m, &n, &k, &alpha, A, &m, B, &m, &beta, C, &m);
// std::cout << "template_blas_gemm finished.\n";
#if 0
for(int i = 0; i < n; i++)
{
for(int j = 0; j < n; j++)
std::cout << " " << C[i*n+j];
std::cout << std::endl;
}
#endif
realtype D[4];
for(int i = 0; i < n; i++)
for(int j = 0; j < n; j++)
{
realtype sum = 0;
for(int k = 0; k < n; k++)
sum += B[i*n+k] * A[k*n+j];
D[i*n+j] = sum;
}
for(int i = 0; i < n; i++)
for(int j = 0; j < n; j++)
{
if(fabs(C[i*n+j] - D[i*n+j]) > 1e-11)
{
throw std::runtime_error("ERROR! wrong result from gemm!");
return NULL;
}
}
realtype E[4];
E[0] = 1.3; E[1] = 0.4;
E[2] = 0.4; E[3] = 2.7;
int info = 0;
//output_matrix(n, E, "E before pptrf");
template_lapack_pptrf("U", &n, E, &info);
//output_matrix(n, E, "E after pptrf");
int itype = 1;
// std::cout << "calling template_lapack_spgst\n";
template_lapack_spgst(&itype, "U", &n,
A, B, &info);
// std::cout << "calling template_lapack_tptri\n";
template_lapack_tptri("U", "U", &n,
A, &info);
int ITYPE=1;
int lwork = 10*n, i;
double work[1000];
double eigv[1000];
// std::cout << "calling template_lapack_sygv\n";
template_lapack_sygv(&ITYPE, "V", "L", &n, A, &n, B, &n,
eigv, work, &lwork, &i);
// std::cout << "calling template_lapack_trtri\n";
char uplo[8];
char diag[8];
strcpy(uplo, "U");
strcpy(diag, "U");
template_lapack_trtri(uplo, diag, &n, A, &n, &info);
// std::cout << "testing template_lapack_gesv().." << std::endl;
{
integer n = 3;
std::vector<double> A(n*n);
A[0] = 1;
A[1] = 2;
A[2] = 0;
A[3] = 0;
A[4] = 3;
A[5] = 3;
A[6] = 1;
A[7] = 1;
A[8] = 0;
std::vector<double> RHS(n);
RHS[0] = 1;
RHS[1] = 0;
RHS[2] = 1;
std::vector<integer> IPIV(n);
integer NRHS = 1;
integer info = -1;
template_lapack_gesv(&n, &NRHS, &A[0], &n, &IPIV[0], &RHS[0], &n, &info);
if(info != 0)
{
throw std::runtime_error("ERROR in template_lapack_gesv!");
return NULL;
}
// std::cout << "OK" << std::endl;
double ref_solution[] = {-2, 0.33333333333333, 3};
for(int i = 0; i < n; i++) {
if(fabs(RHS[i] - ref_solution[i]) > 1e-11)
throw std::runtime_error("ERROR: wrong solution from template_lapack_gesv!");
}
#if 0
std::cout << "solution: ";
for(int i = 0; i < n; i++)
std::cout << RHS[i] << " ";
std::cout << std::endl;
#endif
}
}
pthread_mutex_lock(&mutex);
std::cout << "Thread " << pthread_self() << " finished OK." << std::endl;
pthread_mutex_unlock(&mutex);
return NULL;
}
int main()
{
const int nThreads = 8;
pthread_t threads[nThreads];
for(int i = 0; i < nThreads; i++) {
if(pthread_create(&threads[i], NULL, thread_func, NULL) != 0)
throw std::runtime_error("Error in pthread_create.");
}
for(int i = 0; i < nThreads; i++) {
if(pthread_join(threads[i], NULL) != 0)
throw std::runtime_error("Error in pthread_join.");
}
std::cout << "template_lapack_threaded test finished OK." << std::endl;
return 0;
}
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