diff --git a/sPuReMD/src/charges.c b/sPuReMD/src/charges.c index 73a87973706eb8c70a7ee20539b677c878a9125a..de08a07f4ba0bef73d99b44649a7c9f63e2afc8e 100644 --- a/sPuReMD/src/charges.c +++ b/sPuReMD/src/charges.c @@ -570,7 +570,7 @@ static void Compute_Preconditioner_QEq( const reax_system * const system, case SAI_PC: #if defined(HAVE_LAPACKE) || defined(HAVE_LAPACKE_MKL) data->timing.cm_solver_pre_comp += - sparse_approx_inverse( workspace->H_full, workspace->H_spar_patt_full, + sparse_approx_inverse( &workspace->H_full, &workspace->H_spar_patt_full, &workspace->H_app_inv ); #else fprintf( stderr, "[ERROR] LAPACKE support disabled. Re-compile to enable. Terminating...\n" ); @@ -692,7 +692,7 @@ static void Compute_Preconditioner_EE( const reax_system * const system, case SAI_PC: #if defined(HAVE_LAPACKE) || defined(HAVE_LAPACKE_MKL) data->timing.cm_solver_pre_comp += - sparse_approx_inverse( workspace->H_full, workspace->H_spar_patt_full, + sparse_approx_inverse( &workspace->H_full, &workspace->H_spar_patt_full, &workspace->H_app_inv ); #else fprintf( stderr, "[ERROR] LAPACKE support disabled. Re-compile to enable. Terminating...\n" ); @@ -833,7 +833,7 @@ static void Compute_Preconditioner_ACKS2( const reax_system * const system, case SAI_PC: #if defined(HAVE_LAPACKE) || defined(HAVE_LAPACKE_MKL) data->timing.cm_solver_pre_comp += - sparse_approx_inverse( workspace->H_full, workspace->H_spar_patt_full, + sparse_approx_inverse( &workspace->H_full, &workspace->H_spar_patt_full, &workspace->H_app_inv ); #else fprintf( stderr, "[ERROR] LAPACKE support disabled. Re-compile to enable. Terminating...\n" );