diff --git a/examples/USER/awpmd/H/README b/examples/USER/awpmd/README similarity index 100% rename from examples/USER/awpmd/H/README rename to examples/USER/awpmd/README diff --git a/examples/USER/awpmd/H/data.h_atom b/examples/USER/awpmd/data.h_atom similarity index 100% rename from examples/USER/awpmd/H/data.h_atom rename to examples/USER/awpmd/data.h_atom diff --git a/examples/USER/awpmd/H/data.h_molecule b/examples/USER/awpmd/data.h_molecule similarity index 100% rename from examples/USER/awpmd/H/data.h_molecule rename to examples/USER/awpmd/data.h_molecule diff --git a/examples/USER/awpmd/H/in.h_atom b/examples/USER/awpmd/in.h_atom similarity index 100% rename from examples/USER/awpmd/H/in.h_atom rename to examples/USER/awpmd/in.h_atom diff --git a/examples/USER/awpmd/H/in.h_molecule b/examples/USER/awpmd/in.h_molecule similarity index 100% rename from examples/USER/awpmd/H/in.h_molecule rename to examples/USER/awpmd/in.h_molecule diff --git a/lib/message/cslib/src/msg.cpp b/lib/message/cslib/src/msg.cpp index c67e4a5c8c..da22c81850 100644 --- a/lib/message/cslib/src/msg.cpp +++ b/lib/message/cslib/src/msg.cpp @@ -13,9 +13,9 @@ ------------------------------------------------------------------------- */ #include -#include -#include -#include +#include +#include +#include #include "msg.h" @@ -23,7 +23,7 @@ using namespace CSLIB_NS; /* ---------------------------------------------------------------------- */ -Msg::Msg(int csflag, const void *ptr, MPI_Comm cworld) +Msg::Msg(int csflag, const void * /* ptr */, MPI_Comm cworld) { world = cworld; MPI_Comm_rank(world,&me); @@ -34,7 +34,7 @@ Msg::Msg(int csflag, const void *ptr, MPI_Comm cworld) /* ---------------------------------------------------------------------- */ -Msg::Msg(int csflag, const void *ptr) +Msg::Msg(int csflag, const void * /* ptr */) { world = 0; me = 0; @@ -57,7 +57,7 @@ void Msg::init(int csflag) /* ---------------------------------------------------------------------- */ void Msg::allocate(int nheader, int &maxheader, int *&header, - int nbuf, int &maxbuf, char *&buf) + int nbuf, int &maxbuf, char *&buf) { if (nheader > maxheader) { sfree(header); diff --git a/src/USER-OMP/pair_reaxc_omp.cpp b/src/USER-OMP/pair_reaxc_omp.cpp index d4448ad868..7a42ef9054 100644 --- a/src/USER-OMP/pair_reaxc_omp.cpp +++ b/src/USER-OMP/pair_reaxc_omp.cpp @@ -582,7 +582,7 @@ int PairReaxCOMP::write_reax_lists() /* ---------------------------------------------------------------------- */ -void PairReaxCOMP::read_reax_forces(int vflag) +void PairReaxCOMP::read_reax_forces(int /* vflag */) { #if defined(_OPENMP) #pragma omp parallel for schedule(static) default(shared) diff --git a/src/USER-OMP/reaxc_bond_orders_omp.cpp b/src/USER-OMP/reaxc_bond_orders_omp.cpp index 8b78a3aa55..12186c2645 100644 --- a/src/USER-OMP/reaxc_bond_orders_omp.cpp +++ b/src/USER-OMP/reaxc_bond_orders_omp.cpp @@ -220,7 +220,8 @@ void Add_dBond_to_ForcesOMP( reax_system *system, int i, int pj, /* ---------------------------------------------------------------------- */ -void Add_dBond_to_Forces_NPTOMP( reax_system *system, int i, int pj, simulation_data *data, +void Add_dBond_to_Forces_NPTOMP( reax_system *system, int i, int pj, + simulation_data * /* data */, storage *workspace, reax_list **lists ) { reax_list *bonds = (*lists) + BONDS; bond_data *nbr_j, *nbr_k; @@ -343,9 +344,9 @@ void Add_dBond_to_Forces_NPTOMP( reax_system *system, int i, int pj, simulation_ /* ---------------------------------------------------------------------- */ -int BOp_OMP( storage *workspace, reax_list *bonds, double bo_cut, +int BOp_OMP( storage * /* workspace */, reax_list *bonds, double bo_cut, int i, int btop_i, far_neighbor_data *nbr_pj, - single_body_parameters *sbp_i, single_body_parameters *sbp_j, + single_body_parameters * /* sbp_i */, single_body_parameters * /* sbp_j */, two_body_parameters *twbp, int btop_j, double C12, double C34, double C56, double BO, double BO_s, double BO_pi, double BO_pi2) { int j; @@ -419,8 +420,8 @@ int BOp_OMP( storage *workspace, reax_list *bonds, double bo_cut, /* ---------------------------------------------------------------------- */ -void BOOMP( reax_system *system, control_params *control, simulation_data *data, - storage *workspace, reax_list **lists, output_controls *out_control ) +void BOOMP( reax_system *system, control_params * /* control */, simulation_data * /* data */, + storage *workspace, reax_list **lists, output_controls * /* out_control */) { #ifdef OMP_TIMING double endTimeBase, startTimeBase; diff --git a/src/USER-OMP/reaxc_bonds_omp.cpp b/src/USER-OMP/reaxc_bonds_omp.cpp index 0ccb4d8f99..c7f7e8f853 100644 --- a/src/USER-OMP/reaxc_bonds_omp.cpp +++ b/src/USER-OMP/reaxc_bonds_omp.cpp @@ -42,9 +42,9 @@ using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ -void BondsOMP( reax_system *system, control_params *control, +void BondsOMP( reax_system *system, control_params * /* control */, simulation_data *data, storage *workspace, reax_list **lists, - output_controls *out_control ) + output_controls * /* out_control */) { #ifdef OMP_TIMING double endTimeBase, startTimeBase; diff --git a/src/USER-OMP/reaxc_forces_omp.cpp b/src/USER-OMP/reaxc_forces_omp.cpp index 01e58c4fd3..9cd0130516 100644 --- a/src/USER-OMP/reaxc_forces_omp.cpp +++ b/src/USER-OMP/reaxc_forces_omp.cpp @@ -79,7 +79,7 @@ void Init_Force_FunctionsOMP( control_params *control ) void Compute_Bonded_ForcesOMP( reax_system *system, control_params *control, simulation_data *data, storage *workspace, reax_list **lists, output_controls *out_control, - MPI_Comm comm ) + MPI_Comm /* comm */) { int i; @@ -105,7 +105,7 @@ void Compute_Bonded_ForcesOMP( reax_system *system, control_params *control, void Compute_NonBonded_ForcesOMP( reax_system *system, control_params *control, simulation_data *data, storage *workspace, reax_list **lists, output_controls *out_control, - MPI_Comm comm ) + MPI_Comm /* comm */) { /* van der Waals and Coulomb interactions */ #ifdef OMP_TIMING @@ -133,7 +133,7 @@ void Compute_NonBonded_ForcesOMP( reax_system *system, control_params *control, Saves enormous time & space! */ void Compute_Total_ForceOMP( reax_system *system, control_params *control, simulation_data *data, storage *workspace, - reax_list **lists, mpi_datatypes *mpi_data ) + reax_list **lists, mpi_datatypes * /* mpi_data */) { #ifdef OMP_TIMING double startTimeBase,endTimeBase; @@ -262,7 +262,7 @@ void Compute_Total_ForceOMP( reax_system *system, control_params *control, /* ---------------------------------------------------------------------- */ -void Validate_ListsOMP( reax_system *system, storage *workspace, reax_list **lists, +void Validate_ListsOMP( reax_system *system, storage * /*workspace */, reax_list **lists, int step, int n, int N, int numH, MPI_Comm comm ) { int i, comp, Hindex; @@ -329,7 +329,7 @@ void Validate_ListsOMP( reax_system *system, storage *workspace, reax_list **lis void Init_Forces_noQEq_OMP( reax_system *system, control_params *control, simulation_data *data, storage *workspace, - reax_list **lists, output_controls *out_control, + reax_list **lists, output_controls * /* out_control */, MPI_Comm comm ) { #ifdef OMP_TIMING double startTimeBase, endTimeBase; diff --git a/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp b/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp index 4c0a4c269e..85380efd89 100644 --- a/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp +++ b/src/USER-OMP/reaxc_hydrogen_bonds_omp.cpp @@ -45,7 +45,7 @@ using namespace LAMMPS_NS; void Hydrogen_BondsOMP( reax_system *system, control_params *control, simulation_data *data, storage *workspace, - reax_list **lists, output_controls *out_control ) + reax_list **lists, output_controls * /* out_control */) { #ifdef OMP_TIMING double endTimeBase, startTimeBase; diff --git a/src/USER-OMP/reaxc_init_md_omp.cpp b/src/USER-OMP/reaxc_init_md_omp.cpp index 68d39d4f80..f4368e59c9 100644 --- a/src/USER-OMP/reaxc_init_md_omp.cpp +++ b/src/USER-OMP/reaxc_init_md_omp.cpp @@ -48,8 +48,8 @@ extern int Init_Workspace(reax_system*, control_params*, storage*, MPI_Comm, cha /* ---------------------------------------------------------------------- */ int Init_ListsOMP( reax_system *system, control_params *control, - simulation_data *data, storage *workspace, reax_list **lists, - mpi_datatypes *mpi_data, char *msg ) + simulation_data * /* data */, storage * /* workspace */, + reax_list **lists, mpi_datatypes *mpi_data, char * /* msg */) { int i, total_hbonds, total_bonds, bond_cap, num_3body, cap_3body, Htop; int *hb_top, *bond_top; diff --git a/src/USER-OMP/reaxc_multi_body_omp.cpp b/src/USER-OMP/reaxc_multi_body_omp.cpp index fc4982ca9f..635e22b8f9 100644 --- a/src/USER-OMP/reaxc_multi_body_omp.cpp +++ b/src/USER-OMP/reaxc_multi_body_omp.cpp @@ -42,9 +42,9 @@ using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ -void Atom_EnergyOMP( reax_system *system, control_params *control, +void Atom_EnergyOMP( reax_system *system, control_params * /* control */, simulation_data *data, storage *workspace, reax_list **lists, - output_controls *out_control ) + output_controls * /* out_control */) { #ifdef OMP_TIMING double endTimeBase, startTimeBase; diff --git a/src/USER-OMP/reaxc_nonbonded_omp.cpp b/src/USER-OMP/reaxc_nonbonded_omp.cpp index 552783e41c..9ad238f79c 100644 --- a/src/USER-OMP/reaxc_nonbonded_omp.cpp +++ b/src/USER-OMP/reaxc_nonbonded_omp.cpp @@ -47,8 +47,8 @@ using namespace LAMMPS_NS; void vdW_Coulomb_Energy_OMP( reax_system *system, control_params *control, simulation_data *data, storage *workspace, - reax_list **lists, output_controls *out_control ) { - + reax_list **lists, output_controls * /* out_control */ ) +{ int natoms = system->n; reax_list *far_nbrs = (*lists) + FAR_NBRS; double p_vdW1 = system->reax_param.gp.l[28]; @@ -254,7 +254,7 @@ void vdW_Coulomb_Energy_OMP( reax_system *system, control_params *control, void Tabulated_vdW_Coulomb_Energy_OMP(reax_system *system,control_params *control, simulation_data *data, storage *workspace, reax_list **lists, - output_controls *out_control ) { + output_controls * /* out_control */) { double SMALL = 0.0001; int natoms = system->n; diff --git a/src/USER-OMP/reaxc_valence_angles_omp.cpp b/src/USER-OMP/reaxc_valence_angles_omp.cpp index 6765c091b9..fbad0f8077 100644 --- a/src/USER-OMP/reaxc_valence_angles_omp.cpp +++ b/src/USER-OMP/reaxc_valence_angles_omp.cpp @@ -100,7 +100,7 @@ void Calculate_dCos_ThetaOMP( rvec dvec_ji, double d_ji, rvec dvec_jk, double d_ played by j which sits in the middle of the other two. */ void Valence_AnglesOMP( reax_system *system, control_params *control, simulation_data *data, storage *workspace, - reax_list **lists, output_controls *out_control ) + reax_list **lists, output_controls * /* out_control */) { #ifdef OMP_TIMING diff --git a/src/USER-REAXC/reaxc_io_tools.cpp b/src/USER-REAXC/reaxc_io_tools.cpp index b63fee2309..c3cb9825ff 100644 --- a/src/USER-REAXC/reaxc_io_tools.cpp +++ b/src/USER-REAXC/reaxc_io_tools.cpp @@ -38,7 +38,7 @@ int Init_Output_Files( reax_system *system, control_params *control, output_controls *out_control, mpi_datatypes *mpi_data, char *msg ) { - char temp[MAX_STR]; + char temp[MAX_STR+8]; int ret; if( out_control->write_steps > 0 ){ diff --git a/src/USER-REAXC/reaxc_tool_box.cpp b/src/USER-REAXC/reaxc_tool_box.cpp index 4fc6796efe..1678d0a53c 100644 --- a/src/USER-REAXC/reaxc_tool_box.cpp +++ b/src/USER-REAXC/reaxc_tool_box.cpp @@ -43,7 +43,7 @@ int Tokenize( char* s, char*** tok ) char *word; int count=0; - strncpy( test, s, MAX_LINE ); + strncpy( test, s, MAX_LINE-1); for( word = strtok(test, sep); word; word = strtok(NULL, sep) ) { strncpy( (*tok)[count], word, MAX_LINE ); diff --git a/src/USER-REAXC/reaxc_traj.cpp b/src/USER-REAXC/reaxc_traj.cpp index c1f3e8ae8f..8a8de2707c 100644 --- a/src/USER-REAXC/reaxc_traj.cpp +++ b/src/USER-REAXC/reaxc_traj.cpp @@ -315,7 +315,7 @@ int Init_Traj( reax_system *system, control_params *control, output_controls *out_control, mpi_datatypes *mpi_data, char *msg ) { - char fname[MAX_STR]; + char fname[MAX_STR+8]; int atom_line_len[ NR_OPT_ATOM ] = { 0, 0, 0, 0, ATOM_BASIC_LEN, ATOM_wV_LEN, ATOM_wF_LEN, ATOM_FULL_LEN };