ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

try to work around macOS issue

Browse Source
This commit is contained in:
Axel Kohlmeyer
2024-09-18 23:29:49 -04:00
parent 4eb1b1f606
commit d23b8aa17f
1 changed files with 2 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
src/RHEO/compute_rheo_kernel.cpp
View File

@ -49,7 +49,7 @@ static constexpr int MAX_MDIM = 12;
// declare LAPACK functions // declare LAPACK functions
extern "C" { extern "C" {
void dpotrf2_(const char *uplo, const int *n, double *a, const int *lda, int *info); void dpotrf_(const char *uplo, const int *n, double *a, const int *lda, int *info);
void dpotri_(const char *uplo, const int *n, double *a, const int *lda, int *info); void dpotri_(const char *uplo, const int *n, double *a, const int *lda, int *info);
} }
@ -721,7 +721,7 @@ void ComputeRHEOKernel::compute_peratom()
// Use LAPACK to get Minv, use Cholesky decomposition since the // Use LAPACK to get Minv, use Cholesky decomposition since the
// polynomials are independent, M is symmetrix & positive-definite // polynomials are independent, M is symmetrix & positive-definite
const char uplo = 'U'; const char uplo = 'U';
dpotrf2_(&uplo, &Mdim, M, &Mdim, &lapack_error); dpotrf_(&uplo, &Mdim, M, &Mdim, &lapack_error);
if (lapack_error) { if (lapack_error) {
// Revert to uncorrected SPH for this particle // Revert to uncorrected SPH for this particle