 |
(git:c5411e0)
|
|
(git:c5411e0)
|
keeps replicated information about the replicas More...
Data Fields | |
| integer | ref_count |
| integer | id_nr |
| integer | f_env_id |
| integer | nrep |
| integer | ndim |
| integer | nparticle |
| integer | my_rep_group |
| integer | force_dim |
| real(kind=dp), dimension(:, :), pointer | r |
| real(kind=dp), dimension(:, :), pointer | v |
| real(kind=dp), dimension(:, :), pointer | f |
| logical | sync_v |
| logical | keep_wf_history |
| character(len=default_path_length) | original_project_name |
| type(qs_wf_history_p_type), dimension(:), pointer | wf_history |
| type(cp_result_p_type), dimension(:), pointer | results |
| integer, dimension(:), pointer | local_rep_indices |
| integer, dimension(:), pointer | replica_owner |
| integer, dimension(:), pointer | force_rank |
| integer, dimension(:), pointer | inter_rep_rank |
| logical, dimension(:), pointer | rep_is_local |
| type(mp_para_cart_type), pointer | cart |
| type(mp_para_env_type), pointer | para_env |
| type(mp_para_env_type), pointer | para_env_f |
| type(mp_para_env_type), pointer | para_env_inter_rep |
keeps replicated information about the replicas
| ref_count | reference count |
| id_nr | identity number (unique or each replica_env) |
| nrep | number of replicas |
| nparticle | number of particles (usually atoms) in each replica |
| ndim | = 3*nparticle |
| f_env_id | id of the force env that will do the calculations for the replicas owned by this processor |
| r,v,f | positions, velocities and forces of the replicas. the indexing is as follow (idir,iat,irep) |
| replica_owner | which replica group number owns the replica irep |
| cart | 2d distribution of the processors for the replicas, a column (or row if row_force was true in the rep_env_create call) work together on the same force_env (i.e. changing the row (column) you stay in the same replica), rows (columns) have different replicas |
| force_dim | which dimension of cart works on forces together used to be hardcoded to 1. Default is still 1, will be 2 if row_force is true in the rep_env_create call. |
| para_env | the global para env that contains all the replicas, this is just the cart as para_env |
| para_env_f | parallel environment of the underlying force environment |
| inter_rep_rank | mapping replica group number -> rank in para_env_inter_rep (this used to be col_rank) |
| para_env_inter_rep | parallel environment between replica |
| force_rank | mapping number of processor in force env -> rank in para_env_f (this used to be row_rank) |
| local_rep_indices | indices of the local replicas, starting at 1 |
| rep_is_local | logical if specific replica is a local one. |
| my_rep_group | which replica group number this process belongs to (this used to be just cartmepos(2) but with transposing the cart (row_force=.true.) became cartmepos(1), and to generalize this it is now a separate variable, so one does not need to know which way the cart is mapped.) |
| wf_history | wavefunction history for the owned replicas |
| keep_wf_history | if the wavefunction history for the owned replicas should be kept |
Definition at line 96 of file replica_types.F.
| integer replica_types::replica_env_type::ref_count |
Definition at line 97 of file replica_types.F.
| integer replica_types::replica_env_type::id_nr |
Definition at line 97 of file replica_types.F.
| integer replica_types::replica_env_type::f_env_id |
Definition at line 97 of file replica_types.F.
| integer replica_types::replica_env_type::nrep |
Definition at line 97 of file replica_types.F.
| integer replica_types::replica_env_type::ndim |
Definition at line 97 of file replica_types.F.
| integer replica_types::replica_env_type::nparticle |
Definition at line 97 of file replica_types.F.
| integer replica_types::replica_env_type::my_rep_group |
Definition at line 97 of file replica_types.F.
| integer replica_types::replica_env_type::force_dim |
Definition at line 97 of file replica_types.F.
| real(kind=dp), dimension(:, :), pointer replica_types::replica_env_type::r |
Definition at line 100 of file replica_types.F.
| real(kind=dp), dimension(:, :), pointer replica_types::replica_env_type::v |
Definition at line 100 of file replica_types.F.
| real(kind=dp), dimension(:, :), pointer replica_types::replica_env_type::f |
Definition at line 100 of file replica_types.F.
| logical replica_types::replica_env_type::sync_v |
Definition at line 101 of file replica_types.F.
| logical replica_types::replica_env_type::keep_wf_history |
Definition at line 101 of file replica_types.F.
| character(len=default_path_length) replica_types::replica_env_type::original_project_name |
Definition at line 102 of file replica_types.F.
| type(qs_wf_history_p_type), dimension(:), pointer replica_types::replica_env_type::wf_history |
Definition at line 103 of file replica_types.F.
| type(cp_result_p_type), dimension(:), pointer replica_types::replica_env_type::results |
Definition at line 104 of file replica_types.F.
| integer, dimension(:), pointer replica_types::replica_env_type::local_rep_indices |
Definition at line 105 of file replica_types.F.
| integer, dimension(:), pointer replica_types::replica_env_type::replica_owner |
Definition at line 106 of file replica_types.F.
| integer, dimension(:), pointer replica_types::replica_env_type::force_rank |
Definition at line 106 of file replica_types.F.
| integer, dimension(:), pointer replica_types::replica_env_type::inter_rep_rank |
Definition at line 106 of file replica_types.F.
| logical, dimension(:), pointer replica_types::replica_env_type::rep_is_local |
Definition at line 108 of file replica_types.F.
| type(mp_para_cart_type), pointer replica_types::replica_env_type::cart |
Definition at line 109 of file replica_types.F.
| type(mp_para_env_type), pointer replica_types::replica_env_type::para_env |
Definition at line 110 of file replica_types.F.
| type(mp_para_env_type), pointer replica_types::replica_env_type::para_env_f |
Definition at line 110 of file replica_types.F.
| type(mp_para_env_type), pointer replica_types::replica_env_type::para_env_inter_rep |
Definition at line 110 of file replica_types.F.
1.9.8