Commit 2617c594 authored by Victor Yu's avatar Victor Yu

Add an option to control Wstat restart output

Restart info was written out in every Davidson iteration. Now this can
be changed by setting the `n_steps_write_restart` keyword. Default is 1,
i.e. same behavior as before.
parent 1e98e7f1
......@@ -159,6 +159,23 @@ wstat_control
- Number of PDEP eigenpotentials that can be read from file.
.. data:: n_steps_write_restart
.. list-table::
:widths: 10 90
:stub-columns: 0
* - **Type**
- int
* - **Default**
- 1
* - **Description**
- Available options are:
- If ( n_steps_write_restart > 0 ) A checkpoint is written every n_steps_write_restart iterations in the PDEP loop.
- If ( n_steps_write_restart <= 0 ) A checkpoint is NEVER written in the PDEP loop. Restart will not be possible.
.. data:: trev_pdep
.. list-table::
......
......@@ -36,6 +36,7 @@ default["wstat_control"]["n_pdep_times"] = 4
default["wstat_control"]["n_pdep_maxiter"] = 100
default["wstat_control"]["n_dfpt_maxiter"] = 250
default["wstat_control"]["n_pdep_read_from_file"] = 0
default["wstat_control"]["n_steps_write_restart"] = 1
default["wstat_control"]["trev_pdep"] = 1.e-3
default["wstat_control"]["trev_pdep_rel"] = 1.e-1
default["wstat_control"]["tr2_dfpt"] = 1.e-12
......
......@@ -50,6 +50,7 @@ SUBROUTINE add_intput_parameters_to_json_file( num_drivers, driver, json )
CALL json%add('input.wstat_control.n_pdep_maxiter',n_pdep_maxiter)
CALL json%add('input.wstat_control.n_dfpt_maxiter',n_dfpt_maxiter)
CALL json%add('input.wstat_control.n_pdep_read_from_file',n_pdep_read_from_file)
CALL json%add('input.wstat_control.n_steps_write_restart',n_steps_write_restart)
CALL json%add('input.wstat_control.trev_pdep',trev_pdep)
CALL json%add('input.wstat_control.trev_pdep_rel',trev_pdep_rel)
CALL json%add('input.wstat_control.tr2_dfpt',tr2_dfpt)
......@@ -213,6 +214,7 @@ SUBROUTINE fetch_input_yml( num_drivers, driver, verbose, debug )
IERR = return_dict%get(n_pdep_maxiter, "n_pdep_maxiter", DUMMY_DEFAULT)
IERR = return_dict%get(n_dfpt_maxiter, "n_dfpt_maxiter", DUMMY_DEFAULT)
IERR = return_dict%get(n_pdep_read_from_file, "n_pdep_read_from_file", DUMMY_DEFAULT)
IERR = return_dict%get(n_steps_write_restart, "n_steps_write_restart", DUMMY_DEFAULT)
IERR = return_dict%getitem(trev_pdep, "trev_pdep")
IERR = return_dict%getitem(trev_pdep_rel, "trev_pdep_rel")
IERR = return_dict%getitem(tr2_dfpt, "tr2_dfpt")
......@@ -368,6 +370,7 @@ SUBROUTINE fetch_input_yml( num_drivers, driver, verbose, debug )
CALL mp_bcast(n_pdep_maxiter,root,world_comm)
CALL mp_bcast(n_dfpt_maxiter,root,world_comm)
CALL mp_bcast(n_pdep_read_from_file,root,world_comm)
CALL mp_bcast(n_steps_write_restart,root,world_comm)
CALL mp_bcast(trev_pdep,root,world_comm)
CALL mp_bcast(trev_pdep_rel,root,world_comm)
CALL mp_bcast(tr2_dfpt,root,world_comm)
......@@ -399,6 +402,7 @@ SUBROUTINE fetch_input_yml( num_drivers, driver, verbose, debug )
IF( n_pdep_maxiter == DUMMY_DEFAULT ) CALL errore('fetch_input','Err: cannot read n_pdep_maxiter')
IF( n_dfpt_maxiter == DUMMY_DEFAULT ) CALL errore('fetch_input','Err: cannot read n_dfpt_maxiter')
IF( n_pdep_read_from_file == DUMMY_DEFAULT ) CALL errore('fetch_input','Err: cannot read n_pdep_read_from_file')
IF( n_steps_write_restart == DUMMY_DEFAULT ) CALL errore('fetch_input','Err: cannot read n_steps_write_restart')
IF(gamma_only) THEN
IF (SIZE(qlist)/=1) CALL errore('fetch_input','Err: SIZE(qlist)/=1.',1)
ELSE
......@@ -520,13 +524,14 @@ SUBROUTINE fetch_input_yml( num_drivers, driver, verbose, debug )
!
CALL io_push_title('I/O Summary : wstat_control')
!
numsp=30
numsp = 30
CALL io_push_value('wstat_calculation',wstat_calculation,numsp)
CALL io_push_value('n_pdep_eigen',n_pdep_eigen,numsp)
CALL io_push_value('n_pdep_times',n_pdep_times,numsp)
CALL io_push_value('n_pdep_maxiter',n_pdep_maxiter,numsp)
CALL io_push_value('n_dfpt_maxiter',n_dfpt_maxiter,numsp)
CALL io_push_value('n_pdep_read_from_file',n_pdep_read_from_file,numsp)
CALL io_push_value('n_steps_write_restart',n_steps_write_restart,numsp)
CALL io_push_es0('trev_pdep',trev_pdep,numsp)
CALL io_push_es0('trev_pdep_rel',trev_pdep_rel,numsp)
CALL io_push_es0('tr2_dfpt',tr2_dfpt,numsp)
......@@ -547,7 +552,7 @@ SUBROUTINE fetch_input_yml( num_drivers, driver, verbose, debug )
!
CALL io_push_title('I/O Summary : wfreq_control')
!
numsp=40
numsp = 40
CALL io_push_value('wfreq_calculation',wfreq_calculation,numsp)
CALL io_push_value('n_pdep_eigen_to_use',n_pdep_eigen_to_use,numsp)
CALL io_push_value('qp_bandrange(1)',qp_bandrange(1),numsp)
......@@ -578,7 +583,7 @@ SUBROUTINE fetch_input_yml( num_drivers, driver, verbose, debug )
!
CALL io_push_title('I/O Summary : westpp_control')
!
numsp=40
numsp = 40
CALL io_push_value('westpp_calculation',westpp_calculation,numsp)
CALL io_push_value('westpp_range(1)',westpp_range(1),numsp)
CALL io_push_value('westpp_range(2)',westpp_range(2),numsp)
......@@ -602,7 +607,7 @@ SUBROUTINE fetch_input_yml( num_drivers, driver, verbose, debug )
!
CALL io_push_title('I/O Summary : server_control')
!
numsp=40
numsp = 40
CALL io_push_value('document',document,numsp)
!
CALL io_push_bar()
......
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