diff --git a/sPuReMD/src/charges.c b/sPuReMD/src/charges.c
index 677b94e35633bdeeab9c3a202e793ecb8233f94b..193de2194aedcefdfb5c2723a60509d4dcb81236 100644
--- a/sPuReMD/src/charges.c
+++ b/sPuReMD/src/charges.c
@@ -349,7 +349,7 @@ static void Spline_Extrapolate_Charges_QEq( const reax_system * const system,
//TODO: good candidate for vectorization, avoid moving data with head pointer and circular buffer
#if defined(_OPENMP)
#pragma omp parallel for schedule(static) \
- default(none) private(i, s_tmp, t_tmp)
+ default(none) private(i, s_tmp, t_tmp) shared(system, control, data, workspace)
#endif
for ( i = 0; i < system->N_cm; ++i )
{
@@ -443,7 +443,7 @@ static void Spline_Extrapolate_Charges_EE( const reax_system * const system,
//TODO: good candidate for vectorization, avoid moving data with head pointer and circular buffer
#if defined(_OPENMP)
#pragma omp parallel for schedule(static) \
- default(none) private(i, s_tmp)
+ default(none) private(i, s_tmp) shared(system, control, data, workspace)
#endif
for ( i = 0; i < system->N_cm; ++i )
{
diff --git a/sPuReMD/src/lin_alg.c b/sPuReMD/src/lin_alg.c
index c0df1ef3784c85271e4f418e27673835f81e650c..9fc07f2d3efbf8e0b37c8ac996261df31a329bd1 100644
--- a/sPuReMD/src/lin_alg.c
+++ b/sPuReMD/src/lin_alg.c
@@ -384,7 +384,7 @@ void Calculate_Droptol( const sparse_matrix * const A,
#endif
#if defined(_OPENMP)
- #pragma omp parallel default(none) private(i, j, k, val, tid), shared(droptol_local, stderr)
+ #pragma omp parallel default(none) private(i, j, k, val, tid), shared(A, droptol, dtol, droptol_local, stderr)
#endif
{
#if defined(_OPENMP)
@@ -482,7 +482,7 @@ int Estimate_LU_Fill( const sparse_matrix * const A, const real * const droptol
#if defined(_OPENMP)
#pragma omp parallel for schedule(static) \
- default(none) private(i, pj, val) reduction(+: fillin)
+ default(none) private(i, pj, val) shared( A, droptol) reduction(+: fillin)
#endif
for ( i = 0; i < A->n; ++i )
{
@@ -511,7 +511,7 @@ real jacobi( const sparse_matrix * const H, real * const Hdia_inv )
#if defined(_OPENMP)
#pragma omp parallel for schedule(dynamic,256) \
- default(none) private(i)
+ default(none) private(i) shared(H, Hdia_inv)
#endif
for ( i = 0; i < H->n; ++i )
{
@@ -1139,7 +1139,7 @@ real FG_ICHOLT( const sparse_matrix * const A, const real * droptol,
#if defined(_OPENMP)
#pragma omp parallel for schedule(dynamic,512) \
- default(none) shared(D, D_inv, gamma) private(i)
+ default(none) shared(A, D, D_inv, gamma) private(i)
#endif
for ( i = 0; i < A->n; ++i )
{
@@ -1157,7 +1157,7 @@ real FG_ICHOLT( const sparse_matrix * const A, const real * droptol,
#if defined(_OPENMP)
#pragma omp parallel for schedule(dynamic,512) \
- default(none) shared(D, D_inv, stderr) private(i)
+ default(none) shared(A, D, D_inv, stderr) private(i)
#endif
for ( i = 0; i < A->n; ++i )
{
@@ -1170,7 +1170,7 @@ real FG_ICHOLT( const sparse_matrix * const A, const real * droptol,
memcpy( DAD->j, A->j, sizeof(unsigned int) * A->start[A->n] );
#if defined(_OPENMP)
#pragma omp parallel for schedule(dynamic,4096) \
- default(none) shared(DAD, D, gamma) private(i, pj)
+ default(none) shared(DAD, A, D, gamma) private(i, pj)
#endif
for ( i = 0; i < A->n; ++i )
{
@@ -1348,7 +1348,7 @@ real FG_ILUT( const sparse_matrix * const A, const real * droptol,
#if defined(_OPENMP)
#pragma omp parallel for schedule(dynamic,512) \
- default(none) shared(D_inv, gamma) private(i)
+ default(none) shared(A, D_inv, gamma) private(i)
#endif
for ( i = 0; i < A->n; ++i )
{
@@ -1366,7 +1366,7 @@ real FG_ILUT( const sparse_matrix * const A, const real * droptol,
#if defined(_OPENMP)
#pragma omp parallel for schedule(dynamic,512) \
- default(none) shared(D, D_inv) private(i)
+ default(none) shared(A, D, D_inv) private(i)
#endif
for ( i = 0; i < A->n; ++i )
{
@@ -1380,7 +1380,7 @@ real FG_ILUT( const sparse_matrix * const A, const real * droptol,
memcpy( DAD->j, A->j, sizeof(unsigned int) * A->start[A->n] );
#if defined(_OPENMP)
#pragma omp parallel for schedule(dynamic,4096) \
- default(none) shared(DAD, D, gamma) private(i, pj)
+ default(none) shared(DAD, A, D, gamma) private(i, pj)
#endif
for ( i = 0; i < A->n; ++i )
{
@@ -1406,7 +1406,7 @@ real FG_ILUT( const sparse_matrix * const A, const real * droptol,
/* L has unit diagonal, by convention */
#if defined(_OPENMP)
#pragma omp parallel for schedule(dynamic,512) \
- default(none) private(i) shared(L_temp)
+ default(none) private(i) shared(A, L_temp)
#endif
for ( i = 0; i < A->n; ++i )
{
@@ -3028,8 +3028,8 @@ static void apply_preconditioner( const static_storage * const workspace,
/* Generalized minimual residual method with restarting and
* left preconditioning for sparse linear systems */
int GMRES( const static_storage * const workspace, const control_params * const control,
- simulation_data * const data, const sparse_matrix * const H, const real * const b,
- const real tol, real * const x, const int fresh_pre )
+ simulation_data * const data, const sparse_matrix * const H, const real * const b,
+ const real tol, real * const x, const int fresh_pre )
{
int i, j, k, itr, N, g_j, g_itr;
real cc, tmp1, tmp2, temp, bnorm, g_bnorm;
@@ -3047,7 +3047,7 @@ int GMRES( const static_storage * const workspace, const control_params * const
#if defined(_OPENMP)
#pragma omp parallel default(none) \
private(i, j, k, itr, bnorm, temp, t_start) \
- shared(N, cc, tmp1, tmp2, g_itr, g_j, g_bnorm, stderr) \
+ shared(workspace, control, H, b, tol, x, fresh_pre, N, cc, tmp1, tmp2, g_itr, g_j, g_bnorm, stderr) \
reduction(+: t_ortho, t_pa, t_spmv, t_ts, t_vops)
#endif
{
@@ -3235,9 +3235,9 @@ int GMRES( const static_storage * const workspace, const control_params * const
int GMRES_HouseHolder( const static_storage * const workspace,
- const control_params * const control, simulation_data * const data,
- const sparse_matrix * const H, const real * const b, real tol,
- real * const x, const int fresh_pre )
+ const control_params * const control, simulation_data * const data,
+ const sparse_matrix * const H, const real * const b, real tol,
+ real * const x, const int fresh_pre )
{
int i, j, k, itr, N, g_j, g_itr;
real cc, tmp1, tmp2, temp, bnorm, g_bnorm;
@@ -3256,7 +3256,7 @@ int GMRES_HouseHolder( const static_storage * const workspace,
#if defined(_OPENMP)
#pragma omp parallel default(none) \
private(i, j, k, itr, bnorm, temp, t_start) \
- shared(v, z, w, u, tol, N, cc, tmp1, tmp2, g_itr, g_j, g_bnorm, stderr) \
+ shared(workspace, control, H, b, tol, x, fresh_pre, v, z, w, u, N, cc, tmp1, tmp2, g_itr, g_j, g_bnorm, stderr) \
reduction(+: t_ortho, t_pa, t_spmv, t_ts, t_vops)
#endif
{
@@ -3501,7 +3501,7 @@ int CG( const static_storage * const workspace, const control_params * const con
#pragma omp parallel default(none) \
private(i, tmp, alpha, beta, bnorm, rnorm, sig_old, sig_new, t_start) \
reduction(+: t_pa, t_spmv, t_vops) \
- shared(g_itr, g_bnorm, g_rnorm, N, d, r, p, z)
+ shared(workspace, control, H, b, tol, x, fresh_pre, g_itr, g_bnorm, g_rnorm, N, d, r, p, z)
#endif
{
t_pa = 0.0;
@@ -3615,7 +3615,7 @@ int BiCGStab( const static_storage * const workspace, const control_params * con
#pragma omp parallel default(none) \
private(i, tmp, alpha, beta, omega, sigma, rho, rho_old, rnorm, bnorm, t_start) \
reduction(+: t_pa, t_spmv, t_vops) \
- shared(g_itr, g_rnorm, g_bnorm, g_omega, g_rho, N)
+ shared(workspace, control, H, b, tol, x, fresh_pre, g_itr, g_rnorm, g_bnorm, g_omega, g_rho, N)
#endif
{
t_pa = 0.0;
@@ -3662,7 +3662,10 @@ int BiCGStab( const static_storage * const workspace, const control_params * con
}
if ( i > 0 )
{
+ #pragma GCC diagnostic push
+ #pragma GCC diagnostic ignored "-Wmaybe-uninitialized"
beta = (rho / rho_old) * (alpha / omega);
+ #pragma GCC diagnostic pop
Vector_Sum( workspace->q, 1.0, workspace->p, -1.0 * omega, workspace->z, N );
Vector_Sum( workspace->p, 1.0, workspace->r, beta, workspace->q, N );
}
@@ -3794,7 +3797,7 @@ int SDM( const static_storage * const workspace, const control_params * const co
#pragma omp parallel default(none) \
private(i, tmp, alpha, bnorm, sig, t_start) \
reduction(+: t_pa, t_spmv, t_vops) \
- shared(g_itr, g_sig, g_bnorm, N)
+ shared(workspace, control, H, b, tol, x, fresh_pre, g_itr, g_sig, g_bnorm, N)
#endif
{
t_pa = 0.0;