Farming: rename of variables and introduction of external commands (#…

…2649)

src/farming_methods.F

@@ -87,7 +87,7 @@ SUBROUTINE get_next_job(farming_env, start, END, current, todo)
                   END DO
                END DO dep
 
-               ! if there are pending jobs, the slave can not be told to stop
+               ! if there are pending jobs, the minion can not be told to stop
                ! at least wait if there are unresolved dependencies
                IF (dep_OK) THEN
                   todo = itry
@@ -121,7 +121,7 @@ SUBROUTINE farming_parse_input(farming_env, root_section, para_env)
       TYPE(mp_para_env_type), POINTER                    :: para_env
 
       CHARACTER(LEN=3)                                   :: text
-      INTEGER                                            :: i, iunit, n_rep_val, num_slaves, &
+      INTEGER                                            :: i, iunit, n_rep_val, num_minions, &
                                                             output_unit, stat
       INTEGER, DIMENSION(:), POINTER                     :: dependencies, i_vals
       LOGICAL                                            :: explicit, has_dep
@@ -187,8 +187,8 @@ SUBROUTINE farming_parse_input(farming_env, root_section, para_env)
       CALL section_vals_val_get(farming_section, "WAIT_TIME", &
                                 r_val=farming_env%wait_time)
 
-      CALL section_vals_val_get(farming_section, "MASTER_SLAVE", &
-                                l_val=farming_env%master_slave)
+      CALL section_vals_val_get(farming_section, "CAPTAIN_MINION", &
+                                l_val=farming_env%captain_minion)
 
       jobs_section => section_vals_get_subs_vals(farming_section, "JOB")
       CALL section_vals_get(jobs_section, n_repetition=farming_env%njobs)
@@ -230,22 +230,22 @@ SUBROUTINE farming_parse_input(farming_env, root_section, para_env)
       END DO
 
       IF (has_dep) THEN
-         CPASSERT(farming_env%master_slave)
+         CPASSERT(farming_env%captain_minion)
          CPASSERT(.NOT. farming_env%cycle)
       END IF
 
       output_unit = cp_print_key_unit_nr(logger, farming_section, "PROGRAM_RUN_INFO", &
                                          extension=".log")
 
-      ! master slave not supported
+      ! Captain/Minion not supported
       IF (para_env%num_pe == 1) THEN
-         farming_env%master_slave = .FALSE.
-         WRITE (output_unit, FMT="(T2,A)") "FARMING| Master-slave setup not supported for serial runs"
+         farming_env%captain_minion = .FALSE.
+         WRITE (output_unit, FMT="(T2,A)") "FARMING| Captain-Minion setup not supported for serial runs"
       END IF
-      IF (farming_env%master_slave) THEN
-         num_slaves = para_env%num_pe - 1
+      IF (farming_env%captain_minion) THEN
+         num_minions = para_env%num_pe - 1
       ELSE
-         num_slaves = para_env%num_pe
+         num_minions = para_env%num_pe
       END IF
 
       IF (output_unit > 0) THEN
@@ -259,10 +259,10 @@ SUBROUTINE farming_parse_input(farming_env, root_section, para_env)
                   WRITE (output_unit, FMT='(I4)', ADVANCE="NO") farming_env%group_partition(i)
                END DO
                WRITE (output_unit, *)
-               IF (SUM(farming_env%group_partition) .NE. num_slaves) THEN
+               IF (SUM(farming_env%group_partition) .NE. num_minions) THEN
                   WRITE (output_unit, FMT="(T2,A,T61,I10,T71,I10)") &
-                     "FARMING| WARNING : group partition CPUs not equal to the available number (ignoring master) ", &
-                     num_slaves, SUM(farming_env%group_partition)
+                     "FARMING| WARNING : group partition CPUs not equal to the available number (ignoring Captain) ", &
+                     num_minions, SUM(farming_env%group_partition)
                   WRITE (output_unit, FMT="(T2,A)") "FARMING|          partition data ignored" ! any better idea ??
                   DEALLOCATE (farming_env%group_partition)
                END IF

src/farming_types.F

@@ -37,15 +37,15 @@ MODULE farming_types
       LOGICAL :: ngroup_wish_set
       LOGICAL :: restart
       LOGICAL :: CYCLE
-      LOGICAL :: master_slave
+      LOGICAL :: captain_minion
       INTEGER, DIMENSION(:), POINTER                              :: group_partition ! user preference for partitioning the cpus
       CHARACTER(LEN=default_path_length)                          :: restart_file_name ! restart file for farming
       CHARACTER(LEN=default_path_length)                          :: cwd ! directory we started from
       INTEGER                                                     :: Njobs ! how many jobs to run
       INTEGER                                                     :: restart_n ! where to start
       INTEGER                                                     :: max_steps ! max number of steps,
       ! results in max_steps*Ngroup jobs being run
-      INTEGER                                                     :: stride ! for creating slave groups.
+      INTEGER                                                     :: stride ! for creating minion groups.
       TYPE(job_type), DIMENSION(:), POINTER                       :: job ! a list of jobs
       REAL(KIND=dp) :: wait_time
    END TYPE farming_env_type
@@ -70,7 +70,7 @@ SUBROUTINE init_farming_env(farming_env)
          farming_env%restart = .FALSE.
          farming_env%restart_n = 1
          farming_env%cycle = .FALSE.
-         farming_env%master_slave = .FALSE.
+         farming_env%captain_minion = .FALSE.
          NULLIFY (farming_env%group_partition)
          farming_env%cwd = "."
          farming_env%Njobs = 0

src/motion/cp_lbfgs_optimizer_gopt.F

@@ -67,7 +67,7 @@ MODULE cp_lbfgs_optimizer_gopt
 ! **************************************************************************************************
 !> \brief info for the optimizer (see the description of this module)
 !> \param task the actual task of the optimizer (in the master it is up to
-!>        date, in case of error also the slaves one get updated.
+!>        date, in case of error also the minions one get updated.
 !> \param csave internal character string used by the lbfgs optimizer,
 !>        meaningful only in the master
 !> \param lsave logical array used by the lbfgs optimizer, updated only

src/optimize_input.F

@@ -163,7 +163,7 @@ SUBROUTINE force_matching(oi_env, input_declaration, root_section, para_env)
       CHARACTER(len=default_string_length), &
          ALLOCATABLE, DIMENSION(:, :)                    :: initial_variables
       INTEGER :: color, energies_unit, handle, history_unit, i_atom, i_el, i_frame, i_free_var, &
-         i_var, ierr, mepos_master, mepos_slave, n_atom, n_el, n_frames, n_free_var, n_groups, &
+         i_var, ierr, mepos_master, mepos_minion, n_atom, n_el, n_frames, n_free_var, n_groups, &
          n_var, new_env_id, num_pe_master, output_unit, restart_unit, state
       INTEGER, ALLOCATABLE, DIMENSION(:)                 :: free_var_index
       INTEGER, DIMENSION(:), POINTER                     :: group_distribution
@@ -177,8 +177,8 @@ SUBROUTINE force_matching(oi_env, input_declaration, root_section, para_env)
                                                             force_traj_read, force_var, pos_traj, &
                                                             pos_traj_read
       TYPE(cp_logger_type), POINTER                      :: logger
-      TYPE(mp_comm_type)                                 :: mpi_comm_master, mpi_comm_slave, &
-                                                            mpi_comm_slave_primus
+      TYPE(mp_comm_type)                                 :: mpi_comm_master, mpi_comm_minion, &
+                                                            mpi_comm_minion_primus
       TYPE(opt_state_type)                               :: ostate
       TYPE(section_vals_type), POINTER                   :: oi_section, variable_section
 
@@ -232,11 +232,11 @@ SUBROUTINE force_matching(oi_env, input_declaration, root_section, para_env)
       ALLOCATE (group_distribution(0:num_pe_master - 1))
       IF (oi_env%fm_env%group_size > para_env%num_pe) oi_env%fm_env%group_size = para_env%num_pe
 
-      CALL mpi_comm_slave%from_split(mpi_comm_master, n_groups, group_distribution, subgroup_min_size=oi_env%fm_env%group_size)
-      mepos_slave = mpi_comm_slave%mepos
+      CALL mpi_comm_minion%from_split(mpi_comm_master, n_groups, group_distribution, subgroup_min_size=oi_env%fm_env%group_size)
+      mepos_minion = mpi_comm_minion%mepos
       color = 0
-      IF (mepos_slave == 0) color = 1
-      CALL mpi_comm_slave_primus%from_split(mpi_comm_master, color)
+      IF (mepos_minion == 0) color = 1
+      CALL mpi_comm_minion_primus%from_split(mpi_comm_master, color)
 
       ! assign initial variables
       n_var = SIZE(oi_env%variables, 1)
@@ -320,13 +320,13 @@ SUBROUTINE force_matching(oi_env, input_declaration, root_section, para_env)
             ierr = 0
             CALL create_force_env(new_env_id=new_env_id, input_declaration=input_declaration, &
                                   input_path=input_path, output_path=output_path, &
-                                  mpi_comm=mpi_comm_slave, initial_variables=initial_variables, ierr=ierr)
+                                  mpi_comm=mpi_comm_minion, initial_variables=initial_variables, ierr=ierr)
 
             ! set to zero initialy, for easier mp_summing
             energy_var = 0.0_dp
             force_var = 0.0_dp
 
-            ! compute energies and forces for all frames, doing the work on a slave sub group based on round robin
+            ! compute energies and forces for all frames, doing the work on a minion sub group based on round robin
             t5 = 0.0_dp
             DO i_frame = group_distribution(mepos_master) + 1, n_frames, n_groups
 
@@ -366,13 +366,13 @@ SUBROUTINE force_matching(oi_env, input_declaration, root_section, para_env)
             CALL destroy_force_env(env_id=new_env_id, ierr=ierr)
 
             ! get data everywhere on the master group, we could reduce the amount of data by reducing to partial RMSD first
-            ! furthermore, we should only do this operation among the masters of the slave group
-            IF (mepos_slave == 0) THEN
-               CALL mpi_comm_slave_primus%sum(energy_var)
-               CALL mpi_comm_slave_primus%sum(force_var)
+            ! furthermore, we should only do this operation among the masters of the minion group
+            IF (mepos_minion == 0) THEN
+               CALL mpi_comm_minion_primus%sum(energy_var)
+               CALL mpi_comm_minion_primus%sum(force_var)
             END IF
 
-            ! now evaluate the target function to be minimized (only valid on mepos_slave==0)
+            ! now evaluate the target function to be minimized (only valid on mepos_minion==0)
             IF (para_env%is_source()) THEN
                rf = SQRT(SUM((force_var - force_traj)**2)/(REAL(n_frames, KIND=dp)*REAL(n_atom, KIND=dp)))
                IF (oi_env%fm_env%shift_average) THEN
@@ -480,8 +480,8 @@ SUBROUTINE force_matching(oi_env, input_declaration, root_section, para_env)
       IF (ASSOCIATED(cell_traj)) DEALLOCATE (cell_traj)
       DEALLOCATE (pos, force, force_traj, pos_traj, force_var)
       DEALLOCATE (group_distribution, energy_traj, energy_var)
-      CALL mpi_comm_slave%free()
-      CALL mpi_comm_slave_primus%free()
+      CALL mpi_comm_minion%free()
+      CALL mpi_comm_minion_primus%free()
 
       CALL timestop(handle)