Contains various routines for analysis and diagnostic output. More...

Functions/Subroutines
subroutine, public	analysis_init ()
	Open files, write headers, allocate space etc. More...

subroutine, public	output_initial_step (ctime, T9, rho_b, entropy, Rkm, Y, pf)
	Output first step. More...

subroutine, public	output_final_step (cnt, ctime, T9, rho_b, entropy, Rkm, Y, pf)
	Output final step. More...

subroutine, public	output_iteration (cnt, ctime, T9, rho_b, entropy, Rkm, Y, pf)
	Periodic output of analysis data for current iteration. More...

subroutine, private	output_track_nuclei (ctime, Y)
	Output the abundances of specific nuclei. More...

subroutine, private	output_nu_loss (ctime, temp, rho, Rkm)
	Output the energy that enters and leaves the system. More...

subroutine, private	output_mainout (cnt, ctime, T9, rho_b, entropy, Rkm, Y)
	Output Mainout file. More...

subroutine, private	output_snapshot (ctime, T9, rho_b, Y)
	Output Snapshot files. More...

subroutine	output_flow (ctime, T9, rho_b, Y)
	Output flow files. More...

subroutine, public	output_nr_diagnostic (cnt, k, nr_c, ctime, T9, stepsize, mtot, Y_p, Y)
	Output of the Newton-Raphson loop diagnostics. More...

subroutine, public	output_final_stats (cnt, ctime)
	Print final statistics. More...

subroutine, private	printsnap (t, T9, rho_b, Y)
	Print current snapshot. More...

subroutine, private	calc_nseparation_energy (Y)
	Calculates average neutron separation energy. More...

subroutine, private	calc_nuclear_heating (hdf5_mode, write_engen, write_toplist)
	: Calculate the generated energy for each class of reactions separately. More...

subroutine, private	calc_av_timescales (ctime, T9, Y, hdf5)
	Calculate average timescales of different classes of reactions. More...

subroutine, public	finab (Y)
	Compute final abundances and write final output. More...

subroutine, private	finab_sort (nsize, list)
	auxiliary sorting subroutine More...

subroutine, public	analysis_finalize ()
	Close files at the end of the calculation. More...

Variables
real(r_kind), dimension(:), allocatable	sn
	array of n-separation energies More...

real(r_kind)	sn_ave
	average n-separation energy More...

integer	mainout_unit
	file descriptor for the main analysis output file More...

integer	nrdiag_unit
	diagnostic output inside the Newton-Rhapson loop More...

integer	track_unit
	file id for tracked nuclei More...

integer	toplist_unit
	file id for top nuclear energy contributors More...

integer	nu_loss_gain_unit
	file id for neutrino loss/gain More...

integer	cl_start

integer	cl_end

integer	cl_rate

integer	cl_cmax
	system clock variables More...

integer, private	tsfile
	timescale file unit More...

integer, private	nuc_heat_file
	nuclear heating file unit More...

real(r_kind)	tsnp

real(r_kind)	t9snp

real(r_kind)	rosnp
	for snapshot printing triggers More...

integer	snapcnt
	snapshot count More...

integer	flowcnt
	flow printing counter More...

real, dimension(:), allocatable	snapshot_time
	point in time for custom snapshot More...

integer	snapshot_amount
	Amount of custom snapshots. More...

integer, parameter	toplist_amount =10
	Amount of reactions in the toplist. More...

Detailed Description

Contains various routines for analysis and diagnostic output.

Function/Subroutine Documentation

◆ analysis_finalize()

subroutine, public analysis::analysis_finalize

Close files at the end of the calculation.

Author: : Moritz Reichert

Edited:

01.03.17
25.01.21

Definition at line 2030 of file analysis.f90.

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◆ analysis_init()

subroutine, public analysis::analysis_init

Open files, write headers, allocate space etc.

Definition at line 51 of file analysis.f90.

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◆ calc_av_timescales()

subroutine, private analysis::calc_av_timescales	(	real(r_kind), intent(in)	ctime,
		real(r_kind), intent(in)	T9,
		real(r_kind), dimension(net_size), intent(in)	Y,
		logical, intent(in), optional	hdf5
	)

private

Calculate average timescales of different classes of reactions.

These timescales are calculated as in Arcones et al. 2012 (Eq. 1-6). The (p,gamma) timescale is given by e.g.,

\[ \tau_{p\gamma} = \left[ \frac{\rho Y_p}{Y_h}N_A \sum \langle \sigma \nu \rangle_{p,\gamma}(Z,A)Y(Z,A) \right]^{-1} \]

An example file looks like:

 # time[s]     Temperature [GK]     tau_ng [s]     tau_gn [s]     tau_pg [s]     tau_gp [s]     tau_np [s]     tau_pn [s]     tau_an [s]     tau_na [s]     tau_beta [s]     tau_alpha [s]     tau_nfiss [s]     tau_sfiss [s]     tau_bfiss [s]
  1.1130000000000000E+00    9.1821750000000009E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    1.2642767370327558E+01    2.9487624276191804E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00
  1.1220000000000001E+00    8.2638489999999951E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00    1.0557999180036711E+02    2.5923655028366777E+01    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00
  1.1247618491767180E+00    7.9904974735555152E+00    9.5690472538317728E-13    5.3150487750907188E-11    7.4419112944811684E-10    9.8479480155439862E-08    1.9792689873245490E-12    1.9444248037144314E-12    4.8686627517806918E-10    3.9657685448682009E-12    1.4600540103519526E+01    5.2634156341152767E+01    0.0000000000000000E+00    0.0000000000000000E+00    0.0000000000000000E+00
 ...

Parameters

[in]	ctime	current time [s]
[in]	t9	Temperature [GK]
[in]	hdf5	Whether the output is written to hdf5 or not
[in]	y	abundances

Definition at line 1621 of file analysis.f90.

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◆ calc_nseparation_energy()

subroutine, private analysis::calc_nseparation_energy ( real(r_kind), dimension(net_size), intent(in) Y )

private

Calculates average neutron separation energy.

This neutron separation energy is printed in the mainout when parameter_class::calc_nsep_energy was set to "yes" and a valid file for parameter_class::nsep_energies_file.

Parameters

[in] y abundances

Definition at line 914 of file analysis.f90.

◆ calc_nuclear_heating()

subroutine, private analysis::calc_nuclear_heating	(	logical, intent(in)	hdf5_mode,
		logical, intent(in)	write_engen,
		logical, intent(in)	write_toplist
	)

private

: Calculate the generated energy for each class of reactions separately.

This subroutine calculates the generated energy of the nuclear reactions with the help of the Q-values. This energy is written to an output only. It is not fed back to the temperature and has therefore no impact on the final result. Also, depending on the input the subroutine can calculate the top contributors to the energy generation. These top contributors can be reactions and isotopes.

See also: nuclear_heating

Author: : Moritz Reichert

Date: 29.02.20

Edited:

08.05.24: M.R. Moved the top list calculation from the nuclear heating to this subroutine.

Parameters

[in]	hdf5_mode	whether to store as hdf5 or ascii
[in]	write_engen	whether to write the energy generation
[in]	write_toplist	whether to write the energy toplist

Definition at line 974 of file analysis.f90.

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◆ finab()

subroutine, public analysis::finab ( real(r_kind), dimension(net_size), intent(in) Y )

Compute final abundances and write final output.

There are three files written finabsum.dat containing abundances summed over equal A, finab.dat containing all final abundances, finabelem.dat containing all abundances summed over equal Z.

Definition at line 1893 of file analysis.f90.

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◆ finab_sort()

subroutine, private analysis::finab_sort	(	integer, intent(in)	nsize,
		integer, dimension(nsize), intent(out)	list
	)

private

auxiliary sorting subroutine

Definition at line 1960 of file analysis.f90.

◆ output_final_stats()

subroutine, public analysis::output_final_stats	(	integer, intent(in)	cnt,
		real(r_kind), intent(in)	ctime
	)

Print final statistics.

An example looks like:

 Final time reached.
 Final time:  2.000000000000E+17
 Total number of iterations:       5334
 Elapsed time [s]:  5.41572E+02

Edited:

2023-02-06, M.R. took care of wrapping of the simulation time that could lead to negative simulation times.

Definition at line 835 of file analysis.f90.

◆ output_final_step()

subroutine, public analysis::output_final_step	(	integer, intent(in)	cnt,
		real(r_kind), intent(in)	ctime,
		real(r_kind), intent(in)	T9,
		real(r_kind), intent(in)	rho_b,
		real(r_kind), intent(in)	entropy,
		real(r_kind), intent(in)	Rkm,
		real(r_kind), dimension(net_size), intent(in)	Y,
		real(r_kind), dimension(0:net_size), intent(inout)	pf
	)

Output final step.

This routine calls output_iteration at the last step

See also: output_final_step

Edited: OK 26.08.2017

Parameters

[in]	cnt	current iteration counter
[in]	ctime	actual time [s]
[in]	t9	initial temperature [GK]
[in]	rho_b	initial density [gcc]
[in]	entropy	entropy [kB/nucleon]
[in]	rkm	Radius [km]
[in]	y	array of abundances (Y_i)
[in,out]	pf	partition functions

Definition at line 257 of file analysis.f90.

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◆ output_flow()

subroutine analysis::output_flow	(	real(r_kind), intent(in)	ctime,
		real(r_kind), intent(in)	T9,
		real(r_kind), intent(in)	rho_b,
		real(r_kind), dimension(net_size), intent(in)	Y
	)

Output flow files.

Edited:

19.02.20, M. Jacobi
Parameters

[in] ctime current time

[in] t9 temperature [GK]

[in] rho_b density [gcc]

[in] y array of abundances Y_i

Definition at line 731 of file analysis.f90.

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◆ output_initial_step()

subroutine, public analysis::output_initial_step	(	real(r_kind), intent(in)	ctime,
		real(r_kind), intent(in)	T9,
		real(r_kind), intent(in)	rho_b,
		real(r_kind), intent(in)	entropy,
		real(r_kind), intent(in)	Rkm,
		real(r_kind), dimension(net_size), intent(in)	Y,
		real(r_kind), dimension(0:net_size), intent(inout)	pf
	)

Output first step.

This routine calls output_iteration at the first step

See also: output_final_step

Parameters

[in]	ctime	actual time [s]
[in]	t9	initial temperature [GK]
[in]	rho_b	initial density [gcc]
[in]	entropy	entropy [kB/nucleon]
[in]	rkm	Radius [km]
[in]	y	array of abundances (Y_i)
[in,out]	pf	partition functions

Definition at line 232 of file analysis.f90.

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◆ output_iteration()

subroutine, public analysis::output_iteration	(	integer, intent(in)	cnt,
		real(r_kind), intent(in)	ctime,
		real(r_kind), intent(in)	T9,
		real(r_kind), intent(in)	rho_b,
		real(r_kind), intent(in)	entropy,
		real(r_kind), intent(in)	Rkm,
		real(r_kind), dimension(net_size), intent(in)	Y,
		real(r_kind), dimension(0:net_size), intent(inout)	pf
	)

Periodic output of analysis data for current iteration.

Prints various outputs depending on the input parameter.

Edited:

MR : 19.01.21

Parameters

[in]	cnt	current iteration counter
[in]	ctime	actual time [s]
[in]	t9	temperature [GK]
[in]	rho_b	density [gcc]
[in]	entropy	entropy [kB/nucleon]
[in]	rkm	length scale [km]
[in]	y	array of abundances (Y_i)
[in,out]	pf	partition functions

Definition at line 324 of file analysis.f90.

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◆ output_mainout()

subroutine, private analysis::output_mainout	(	integer, intent(in)	cnt,
		real(r_kind), intent(in)	ctime,
		real(r_kind), intent(in)	T9,
		real(r_kind), intent(in)	rho_b,
		real(r_kind), intent(in)	entropy,
		real(r_kind), intent(in)	Rkm,
		real(r_kind), dimension(net_size), intent(in)	Y
	)

private

Output Mainout file.

This file contains all basic quantities such as neutron abundance Yn, time, temperature, density, Abar, and much more. An example file looks like:

 # 1:iteration 2:time[s], 3:T[GK], 4:rho[g/cm3], 5:Ye
 # 6:R[km], 7:Y_n, 8:Y_p, 9:Y_alpha, 10:Y_lights
 # 11:Y_heavies 12:<Z> 13: 14:entropy [kB/baryon] (15:Sn [MeV])
    0  0.0000000000000000E+00   1.0964999999999998E+01   8.7095999999999795E+12   3.4880000000001680E-02   4.9272999999999975E+01   8.7430471311642388E-01   1.8154340816658842E-15   1.8313910002116333E-13   8.4293473893924100E-09   1.6154109228777289E-03   3.9820982195819934E-02   1.1416565996507526E+00   9.4638587929828290E-03
   10  4.0940000000000001E-09   1.0965038071994945E+01   8.7093701186135752E+12   3.4880006806212963E-02   4.9273176232580205E+01   8.7430472419630612E-01   1.8157922458135375E-15   1.8317495847108614E-13   8.4302150496944692E-09   1.6154086944791908E-03   3.9820989563731306E-02   1.1416565881127740E+00   9.4639764072160116E-03
 ...

Parameters

[in]	cnt	current iteration counter
[in]	ctime	current time
[in]	t9	temperature [GK]
[in]	rho_b	density [gcc]
[in]	entropy	entropy [kB/nucleon]
[in]	rkm	length scale [km]
[in]	y	array of abundances (Y_i)

Definition at line 641 of file analysis.f90.

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◆ output_nr_diagnostic()

subroutine, public analysis::output_nr_diagnostic	(	integer, intent(in)	cnt,
		integer, intent(in)	k,
		integer, intent(in)	nr_c,
		real(r_kind), intent(in)	ctime,
		real(r_kind), intent(in)	T9,
		real(r_kind), intent(in)	stepsize,
		real(r_kind), intent(in)	mtot,
		real(r_kind), dimension(net_size)	Y_p,
		real(r_kind), dimension(net_size)	Y
	)

Output of the Newton-Raphson loop diagnostics.

The diagnostic output contains NR iterations, timesteps, the nucleus that restricts the timestep and more. An example file looks like:

 # Newton-Raphson diagnostic output
 # 1 : global iteration count (cnt)
 # 2 : global time [s]
 # 3 : temperature T9 [GK]
 # 4 : adapt stepsize loop counter (k)
 # 5 : NR loop counter (nr_count)
 # 6 : global timestep [s]
 # 7 : mass conservation error
 # 8 : maximal abundance change (eps)
 # 9 : most rapidly evolving isotope (epsl)
 # 10: abundance of the isotope epsl, y(epsl)
       0   5.20740000000E-22   7.42450000000E+00    0    1   5.20740000000E-22   9.32587340685E-15   2.22044604925E-16 cl42   2.43899441583E-08
       0   5.20740000000E-22   7.42450000000E+00    0    2   5.20740000000E-22   9.32587340685E-15   2.22044604925E-16  s40   2.73320077046E-08
       1   1.56220000000E-21   7.42450000000E+00    0    1   1.04146000000E-21   9.32587340685E-15   2.22044604925E-16  he4   3.13811866442E-03
       1   1.56220000000E-21   7.42450000000E+00    0    2   1.04146000000E-21   9.32587340685E-15   2.22044604925E-16 mg30   1.57736344914E-10
 ...

Parameters

[in]	cnt	global iteration counter
[in]	k	counter in adapt_stepsize loop
[in]	nr_c	counter in the NR loop
[in]	ctime	global current time
[in]	t9	current temperature [GK]
[in]	stepsize	current step size
[in]	mtot	total mass
	y	old/new abundances

Definition at line 769 of file analysis.f90.

◆ output_nu_loss()

subroutine, private analysis::output_nu_loss	(	real(r_kind), intent(in)	ctime,
		real(r_kind), intent(in)	temp,
		real(r_kind), intent(in)	rho,
		real(r_kind), intent(in)	Rkm
	)

private

Output the energy that enters and leaves the system.

Outputs the energy that enters and leaves the system when nuclear_heating is turned on. This output is controlled by the parameter nu_loss_every . The output is written to the file "nu_loss_gain_file". An example of the file could look like:

 # File containing the neutrino loss/gain for the nuclear heating.
 # Negative values mean that energy is added to the system.
 # Neutrino energies are given in MeV/baryon/s.
 #           time[s]                 T[GK]            rho[g/cm3]                 R[km]              nu_total  ...
         1.10385E+00           1.00000E+01           4.89334E+07           3.55626E+02           0.00000E+00  ...
         1.10385E+00           1.00000E+01           4.89334E+07           3.55626E+02          -5.05524E+00  ...
         1.10385E+00           1.00000E+01           4.89334E+07           3.55626E+02          -5.05524E+00  ...
         1.10385E+00           1.00000E+01           4.89334E+07           3.55626E+02          -5.05524E+00  ...
 ...

Author: Moritz Reichert

Date: 12.04.2023

Parameters

[in]	ctime	actual time (s)
[in]	temp	temperature (GK)
[in]	rho	density (g/cm3)
[in]	rkm	radius (km)

Definition at line 603 of file analysis.f90.

◆ output_snapshot()

subroutine, private analysis::output_snapshot	(	real(r_kind), intent(in)	ctime,
		real(r_kind), intent(in)	T9,
		real(r_kind), intent(in)	rho_b,
		real(r_kind), dimension(net_size), intent(in)	Y
	)

private

Output Snapshot files.

Snapshots store the abundances and mass fractions of all nuclei at certain times. An example file looks like:

 time    temp    dens
 9.77198412010000E-02   9.99927332947922E+00   3.88380373937259E+06
  nin     zin       y       x
 1    0     5.72194135572689E-01   5.72194135572689E-01
 0    1     3.92194484636783E-01   3.92194484636783E-01
 1    1     7.83033243870819E-05   1.56606648774164E-04
 ...

Edited:

03.04.18, M. Jacobi

Parameters

[in]	ctime	current time
[in]	t9	temperature [GK]
[in]	rho_b	density [gcc]
[in]	y	array of abundances Y_i

Definition at line 711 of file analysis.f90.

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◆ output_track_nuclei()

subroutine, private analysis::output_track_nuclei	(	real(r_kind), intent(in)	ctime,
		real(r_kind), dimension(net_size), intent(in)	Y
	)

private

Output the abundances of specific nuclei.

First column is always the time, followed by the abundances of nuclei given in "track_nuclei_file". An example of the file looks like:

 # time[s]                    Y(     n )                  Y(   o24 )                  Y(   f24 )
  0.0000000000000000E+00      0.0000000000000000E+00      2.0833333333333332E-02      0.0000000000000000E+00
  1.9999999999999999E-20      8.5150206007805894E-19      2.0833333333333332E-02      1.8661570495808601E-21
  5.9999999999999994E-20      2.5545061802341771E-18      2.0833333333333332E-02      5.5984711487425806E-21
  1.3999999999999998E-19      5.9605144205464133E-18      2.0833333333333332E-02      1.3063099347066021E-20
 ...

Author: : Moritz Reichert

Edited:

09.06.17

Parameters

[in]	ctime	Actual time
[in]	y	array of abundances (Y_i)

Definition at line 563 of file analysis.f90.

◆ printsnap()

subroutine, private analysis::printsnap	(	real(r_kind), intent(in)	t,
		real(r_kind), intent(in)	T9,
		real(r_kind), intent(in)	rho_b,
		real(r_kind), dimension(net_size), intent(in)	Y
	)

private

Print current snapshot.

Snapshots store the abundances and mass fractions of all nuclei at certain times. An example file looks like:

 time    temp    dens
 9.77198412010000E-02   9.99927332947922E+00   3.88380373937259E+06
  nin     zin       y       x
 1    0     5.72194135572689E-01   5.72194135572689E-01
 0    1     3.92194484636783E-01   3.92194484636783E-01
 1    1     7.83033243870819E-05   1.56606648774164E-04
 ...

Definition at line 874 of file analysis.f90.

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Variable Documentation

◆ cl_cmax

integer analysis::cl_cmax

system clock variables

Definition at line 24 of file analysis.f90.

◆ cl_end

integer analysis::cl_end

Definition at line 24 of file analysis.f90.

◆ cl_rate

integer analysis::cl_rate

Definition at line 24 of file analysis.f90.

◆ cl_start

integer analysis::cl_start

Definition at line 24 of file analysis.f90.

◆ flowcnt

integer analysis::flowcnt

flow printing counter

Definition at line 29 of file analysis.f90.

◆ mainout_unit

integer analysis::mainout_unit

file descriptor for the main analysis output file

Definition at line 19 of file analysis.f90.

◆ nrdiag_unit

integer analysis::nrdiag_unit

diagnostic output inside the Newton-Rhapson loop

Definition at line 20 of file analysis.f90.

◆ nu_loss_gain_unit

integer analysis::nu_loss_gain_unit

file id for neutrino loss/gain

Definition at line 23 of file analysis.f90.

◆ nuc_heat_file

integer, private analysis::nuc_heat_file

private

nuclear heating file unit

Definition at line 26 of file analysis.f90.

◆ rosnp

real(r_kind) analysis::rosnp

for snapshot printing triggers

Definition at line 27 of file analysis.f90.

◆ sn

real(r_kind), dimension(:), allocatable analysis::sn

array of n-separation energies

Definition at line 17 of file analysis.f90.

◆ sn_ave

real(r_kind) analysis::sn_ave

average n-separation energy

Definition at line 18 of file analysis.f90.

◆ snapcnt

integer analysis::snapcnt

snapshot count

Definition at line 28 of file analysis.f90.

◆ snapshot_amount

integer analysis::snapshot_amount

Amount of custom snapshots.

Definition at line 31 of file analysis.f90.

◆ snapshot_time

real, dimension(:), allocatable analysis::snapshot_time

point in time for custom snapshot

Definition at line 30 of file analysis.f90.

◆ t9snp

real(r_kind) analysis::t9snp

Definition at line 27 of file analysis.f90.

◆ toplist_amount

integer, parameter analysis::toplist_amount =10

Amount of reactions in the toplist.

Definition at line 32 of file analysis.f90.

◆ toplist_unit

integer analysis::toplist_unit

file id for top nuclear energy contributors

Definition at line 22 of file analysis.f90.

◆ track_unit

integer analysis::track_unit

file id for tracked nuclei

Definition at line 21 of file analysis.f90.

◆ tsfile

integer, private analysis::tsfile

private

timescale file unit

Definition at line 25 of file analysis.f90.

◆ tsnp

real(r_kind) analysis::tsnp

Definition at line 27 of file analysis.f90.

Functions/Subroutines

Variables

Detailed Description

Function/Subroutine Documentation

◆ analysis_finalize()

◆ analysis_init()

◆ calc_av_timescales()

◆ calc_nseparation_energy()

◆ calc_nuclear_heating()

◆ finab()

◆ finab_sort()

◆ output_final_stats()

◆ output_final_step()

◆ output_flow()

◆ output_initial_step()

◆ output_iteration()

◆ output_mainout()

◆ output_nr_diagnostic()

◆ output_nu_loss()

◆ output_snapshot()

◆ output_track_nuclei()

◆ printsnap()

Variable Documentation

◆ cl_cmax

◆ cl_end

◆ cl_rate

◆ cl_start

◆ flowcnt

◆ mainout_unit

◆ nrdiag_unit

◆ nu_loss_gain_unit

◆ nuc_heat_file

◆ rosnp

◆ sn

◆ sn_ave

◆ snapcnt

◆ snapshot_amount

◆ snapshot_time

◆ t9snp

◆ toplist_amount

◆ toplist_unit

◆ track_unit

◆ tsfile

◆ tsnp