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Last change on this file since 2214 was 2183, checked in by schwenkel, 8 years ago
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1	!> @file lpm_init.f90
2	!------------------------------------------------------------------------------!
3	! This file is part of PALM.
4	!
5	! PALM is free software: you can redistribute it and/or modify it under the
6	! terms of the GNU General Public License as published by the Free Software
7	! Foundation, either version 3 of the License, or (at your option) any later
8	! version.
9	!
10	! PALM is distributed in the hope that it will be useful, but WITHOUT ANY
11	! WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
12	! A PARTICULAR PURPOSE. See the GNU General Public License for more details.
13	!
14	! You should have received a copy of the GNU General Public License along with
15	! PALM. If not, see <http://www.gnu.org/licenses/>.
16	!
17	! Copyright 1997-2017 Leibniz Universitaet Hannover
18	!------------------------------------------------------------------------------!
19	!
20	! Current revisions:
21	! -----------------
22	!
23	!
24	! Former revisions:
25	! -----------------
26	! $Id: lpm_init.f90 2183 2017-03-17 14:29:15Z kanani $
27	!
28	! 2182 2017-03-17 14:27:40Z schwenkel
29	! Added parameters for simplified particle initialization.
30	!
31	! 2122 2017-01-18 12:22:54Z hoffmann
32	! Improved initialization of equilibrium aerosol radii
33	! Calculation of particle ID
34	!
35	! 2000 2016-08-20 18:09:15Z knoop
36	! Forced header and separation lines into 80 columns
37	!
38	! 2016-06-09 16:25:25Z suehring
39	! Bugfix in determining initial particle height and grid index in case of
40	! seed_follows_topography.
41	! Bugfix concerning random positions, ensure that particles do not move more
42	! than one grid length.
43	! Bugfix logarithmic interpolation.
44	! Initial setting of sgs_wf_part.
45	!
46	! 1890 2016-04-22 08:52:11Z hoffmann
47	! Initialization of aerosol equilibrium radius not possible in supersaturated
48	! environments. Therefore, a maximum supersaturation of -1 % is assumed during
49	! initialization.
50	!
51	! 1873 2016-04-18 14:50:06Z maronga
52	! Module renamed (removed _mod
53	!
54	! 1871 2016-04-15 11:46:09Z hoffmann
55	! Initialization of aerosols added.
56	!
57	! 1850 2016-04-08 13:29:27Z maronga
58	! Module renamed
59	!
60	! 1831 2016-04-07 13:15:51Z hoffmann
61	! curvature_solution_effects moved to particle_attributes
62	!
63	! 1822 2016-04-07 07:49:42Z hoffmann
64	! Unused variables removed.
65	!
66	! 1783 2016-03-06 18:36:17Z raasch
67	! netcdf module added
68	!
69	! 1725 2015-11-17 13:01:51Z hoffmann
70	! Bugfix: Processor-dependent seed for random function is generated before it is
71	! used.
72	!
73	! 1691 2015-10-26 16:17:44Z maronga
74	! Renamed prandtl_layer to constant_flux_layer.
75	!
76	! 1685 2015-10-08 07:32:13Z raasch
77	! bugfix concerning vertical index offset in case of ocean
78	!
79	! 1682 2015-10-07 23:56:08Z knoop
80	! Code annotations made doxygen readable
81	!
82	! 1575 2015-03-27 09:56:27Z raasch
83	! initial vertical particle position is allowed to follow the topography
84	!
85	! 1359 2014-04-11 17:15:14Z hoffmann
86	! New particle structure integrated.
87	! Kind definition added to all floating point numbers.
88	! lpm_init changed form a subroutine to a module.
89	!
90	! 1327 2014-03-21 11:00:16Z raasch
91	! -netcdf_output
92	!
93	! 1322 2014-03-20 16:38:49Z raasch
94	! REAL functions provided with KIND-attribute
95	!
96	! 1320 2014-03-20 08:40:49Z raasch
97	! ONLY-attribute added to USE-statements,
98	! kind-parameters added to all INTEGER and REAL declaration statements,
99	! kinds are defined in new module kinds,
100	! revision history before 2012 removed,
101	! comment fields (!:) to be used for variable explanations added to
102	! all variable declaration statements
103	! bugfix: #if defined( __parallel ) added
104	!
105	! 1314 2014-03-14 18:25:17Z suehring
106	! Vertical logarithmic interpolation of horizontal particle speed for particles
107	! between roughness height and first vertical grid level.
108	!
109	! 1092 2013-02-02 11:24:22Z raasch
110	! unused variables removed
111	!
112	! 1036 2012-10-22 13:43:42Z raasch
113	! code put under GPL (PALM 3.9)
114	!
115	! 849 2012-03-15 10:35:09Z raasch
116	! routine renamed: init_particles -> lpm_init
117	! de_dx, de_dy, de_dz are allocated here (instead of automatic arrays in
118	! advec_particles),
119	! sort_particles renamed lpm_sort_arrays, user_init_particles renamed lpm_init
120	!
121	! 828 2012-02-21 12:00:36Z raasch
122	! call of init_kernels, particle feature color renamed class
123	!
124	! 824 2012-02-17 09:09:57Z raasch
125	! particle attributes speed_x\|y\|z_sgs renamed rvar1\|2\|3,
126	! array particles implemented as pointer
127	!
128	! 667 2010-12-23 12:06:00Z suehring/gryschka
129	! nxl-1, nxr+1, nys-1, nyn+1 replaced by nxlg, nxrg, nysg, nyng for allocation
130	! of arrays.
131	!
132	! Revision 1.1 1999/11/25 16:22:38 raasch
133	! Initial revision
134	!
135	!
136	! Description:
137	! ------------
138	!> This routine initializes a set of particles and their attributes (position,
139	!> radius, ..) which are used by the Lagrangian particle model (see lpm).
140	!------------------------------------------------------------------------------!
141	MODULE lpm_init_mod
142
143
144	USE arrays_3d, &
145	ONLY: de_dx, de_dy, de_dz, zu, zw, z0
146
147	USE control_parameters, &
148	ONLY: cloud_droplets, constant_flux_layer, current_timestep_number, &
149	dz, initializing_actions, message_string, ocean, simulated_time
150
151	USE grid_variables, &
152	ONLY: ddx, dx, ddy, dy
153
154	USE indices, &
155	ONLY: nx, nxl, nxlg, nxrg, nxr, ny, nyn, nys, nyng, nysg, nz, nzb, &
156	nzb_w_inner, nzt
157
158	USE kinds
159
160	USE lpm_collision_kernels_mod, &
161	ONLY: init_kernels
162
163	USE netcdf_interface, &
164	ONLY: netcdf_data_format
165
166	USE particle_attributes, &
167	ONLY: alloc_factor, bc_par_b, bc_par_lr, bc_par_ns, bc_par_t, &
168	block_offset, block_offset_def, collision_kernel, &
169	curvature_solution_effects, &
170	density_ratio, grid_particles, &
171	initial_weighting_factor, ibc_par_b, ibc_par_lr, ibc_par_ns, &
172	ibc_par_t, iran_part, log_z_z0, &
173	max_number_of_particle_groups, maximum_number_of_particles, &
174	min_nr_particle, mpi_particle_type, &
175	number_concentration, number_particles_per_gridbox, &
176	number_of_particles, &
177	number_of_particle_groups, number_of_sublayers, &
178	offset_ocean_nzt, offset_ocean_nzt_m1, &
179	particles, particle_advection_start, particle_groups, &
180	particle_groups_type, particles_per_point, &
181	particle_type, pdx, pdy, pdz, &
182	prt_count, psb, psl, psn, psr, pss, pst, &
183	radius, random_start_position, read_particles_from_restartfile,&
184	seed_follows_topography, sgs_wf_part, sort_count, &
185	total_number_of_particles, &
186	use_sgs_for_particles, &
187	write_particle_statistics, uniform_particles, zero_particle, &
188	z0_av_global
189
190	USE pegrid
191
192	USE random_function_mod, &
193	ONLY: random_function
194
195	IMPLICIT NONE
196
197	PRIVATE
198
199	INTEGER(iwp), PARAMETER :: PHASE_INIT = 1 !<
200	INTEGER(iwp), PARAMETER, PUBLIC :: PHASE_RELEASE = 2 !<
201
202	INTERFACE lpm_init
203	MODULE PROCEDURE lpm_init
204	END INTERFACE lpm_init
205
206	INTERFACE lpm_create_particle
207	MODULE PROCEDURE lpm_create_particle
208	END INTERFACE lpm_create_particle
209
210	PUBLIC lpm_init, lpm_create_particle
211
212	CONTAINS
213
214	!------------------------------------------------------------------------------!
215	! Description:
216	! ------------
217	!> @todo Missing subroutine description.
218	!------------------------------------------------------------------------------!
219	SUBROUTINE lpm_init
220
221	USE lpm_collision_kernels_mod, &
222	ONLY: init_kernels
223
224	IMPLICIT NONE
225
226	INTEGER(iwp) :: i !<
227	INTEGER(iwp) :: j !<
228	INTEGER(iwp) :: k !<
229
230	#if defined( __parallel )
231	INTEGER(iwp), DIMENSION(3) :: blocklengths !<
232	INTEGER(iwp), DIMENSION(3) :: displacements !<
233	INTEGER(iwp), DIMENSION(3) :: types !<
234	#endif
235
236	REAL(wp) :: div !<
237	REAL(wp) :: height_int !<
238	REAL(wp) :: height_p !<
239	REAL(wp) :: z_p !<
240	REAL(wp) :: z0_av_local !<
241
242	#if defined( __parallel )
243	!
244	!-- Define MPI derived datatype for FORTRAN datatype particle_type (see module
245	!-- particle_attributes). Integer length is 4 byte, Real is 8 byte
246	blocklengths(1) = 19; blocklengths(2) = 6; blocklengths(3) = 1
247	displacements(1) = 0; displacements(2) = 152; displacements(3) = 176
248
249	types(1) = MPI_REAL
250	types(2) = MPI_INTEGER
251	types(3) = MPI_UB
252	CALL MPI_TYPE_STRUCT( 3, blocklengths, displacements, types, &
253	mpi_particle_type, ierr )
254	CALL MPI_TYPE_COMMIT( mpi_particle_type, ierr )
255	#endif
256
257	!
258	!-- In case of oceans runs, the vertical index calculations need an offset,
259	!-- because otherwise the k indices will become negative
260	IF ( ocean ) THEN
261	offset_ocean_nzt = nzt
262	offset_ocean_nzt_m1 = nzt - 1
263	ENDIF
264
265	!
266	!-- Define block offsets for dividing a gridcell in 8 sub cells
267
268	block_offset(0) = block_offset_def (-1,-1,-1)
269	block_offset(1) = block_offset_def (-1,-1, 0)
270	block_offset(2) = block_offset_def (-1, 0,-1)
271	block_offset(3) = block_offset_def (-1, 0, 0)
272	block_offset(4) = block_offset_def ( 0,-1,-1)
273	block_offset(5) = block_offset_def ( 0,-1, 0)
274	block_offset(6) = block_offset_def ( 0, 0,-1)
275	block_offset(7) = block_offset_def ( 0, 0, 0)
276	!
277	!-- Check the number of particle groups.
278	IF ( number_of_particle_groups > max_number_of_particle_groups ) THEN
279	WRITE( message_string, * ) 'max_number_of_particle_groups =', &
280	max_number_of_particle_groups , &
281	'&number_of_particle_groups reset to ', &
282	max_number_of_particle_groups
283	CALL message( 'lpm_init', 'PA0213', 0, 1, 0, 6, 0 )
284	number_of_particle_groups = max_number_of_particle_groups
285	ENDIF
286
287	!
288	!-- Set default start positions, if necessary
289	IF ( psl(1) == 9999999.9_wp ) psl(1) = -0.5_wp * dx
290	IF ( psr(1) == 9999999.9_wp ) psr(1) = ( nx + 0.5_wp ) * dx
291	IF ( pss(1) == 9999999.9_wp ) pss(1) = -0.5_wp * dy
292	IF ( psn(1) == 9999999.9_wp ) psn(1) = ( ny + 0.5_wp ) * dy
293	IF ( psb(1) == 9999999.9_wp ) psb(1) = zu(nz/2)
294	IF ( pst(1) == 9999999.9_wp ) pst(1) = psb(1)
295
296	IF ( pdx(1) == 9999999.9_wp .OR. pdx(1) == 0.0_wp ) pdx(1) = dx
297	IF ( pdy(1) == 9999999.9_wp .OR. pdy(1) == 0.0_wp ) pdy(1) = dy
298	IF ( pdz(1) == 9999999.9_wp .OR. pdz(1) == 0.0_wp ) pdz(1) = zu(2) - zu(1)
299
300	!
301	!-- If number_particles_per_gridbox is set, the parametres pdx, pdy and pdz are
302	!-- calculated diagnostically. Therfore an isotropic distribution is prescribed.
303	IF ( number_particles_per_gridbox /= -1 .AND. &
304	number_particles_per_gridbox >= 1 ) THEN
305	pdx(1) = (( dx * dy * ( zu(2) - zu(1) ) ) / &
306	REAL(number_particles_per_gridbox))**0.3333333_wp
307	!
308	!-- Ensure a smooth value (two significant digits) of distance between
309	!-- particles (pdx, pdy, pdz).
310	div = 1000.0_wp
311	DO WHILE ( pdx(1) < div )
312	div = div / 10.0_wp
313	ENDDO
314	pdx(1) = NINT( pdx(1) * 100.0_wp / div ) * div / 100.0_wp
315	pdy(1) = pdx(1)
316	pdz(1) = pdx(1)
317
318	ENDIF
319
320	DO j = 2, number_of_particle_groups
321	IF ( psl(j) == 9999999.9_wp ) psl(j) = psl(j-1)
322	IF ( psr(j) == 9999999.9_wp ) psr(j) = psr(j-1)
323	IF ( pss(j) == 9999999.9_wp ) pss(j) = pss(j-1)
324	IF ( psn(j) == 9999999.9_wp ) psn(j) = psn(j-1)
325	IF ( psb(j) == 9999999.9_wp ) psb(j) = psb(j-1)
326	IF ( pst(j) == 9999999.9_wp ) pst(j) = pst(j-1)
327	IF ( pdx(j) == 9999999.9_wp .OR. pdx(j) == 0.0_wp ) pdx(j) = pdx(j-1)
328	IF ( pdy(j) == 9999999.9_wp .OR. pdy(j) == 0.0_wp ) pdy(j) = pdy(j-1)
329	IF ( pdz(j) == 9999999.9_wp .OR. pdz(j) == 0.0_wp ) pdz(j) = pdz(j-1)
330	ENDDO
331
332	!
333	!-- Allocate arrays required for calculating particle SGS velocities.
334	!-- Initialize prefactor required for stoachastic Weil equation.
335	IF ( use_sgs_for_particles .AND. .NOT. cloud_droplets ) THEN
336	ALLOCATE( de_dx(nzb:nzt+1,nysg:nyng,nxlg:nxrg), &
337	de_dy(nzb:nzt+1,nysg:nyng,nxlg:nxrg), &
338	de_dz(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
339
340	sgs_wf_part = 1.0_wp / 3.0_wp
341	ENDIF
342
343	!
344	!-- Allocate array required for logarithmic vertical interpolation of
345	!-- horizontal particle velocities between the surface and the first vertical
346	!-- grid level. In order to avoid repeated CPU cost-intensive CALLS of
347	!-- intrinsic FORTRAN procedure LOG(z/z0), LOG(z/z0) is precalculated for
348	!-- several heights. Splitting into 20 sublayers turned out to be sufficient.
349	!-- To obtain exact height levels of particles, linear interpolation is applied
350	!-- (see lpm_advec.f90).
351	IF ( constant_flux_layer ) THEN
352
353	ALLOCATE ( log_z_z0(0:number_of_sublayers) )
354	z_p = zu(nzb+1) - zw(nzb)
355
356	!
357	!-- Calculate horizontal mean value of z0 used for logartihmic
358	!-- interpolation. Note: this is not exact for heterogeneous z0.
359	!-- However, sensitivity studies showed that the effect is
360	!-- negligible.
361	z0_av_local = SUM( z0(nys:nyn,nxl:nxr) )
362	z0_av_global = 0.0_wp
363
364	#if defined( __parallel )
365	CALL MPI_ALLREDUCE(z0_av_local, z0_av_global, 1, MPI_REAL, MPI_SUM, &
366	comm2d, ierr )
367	#else
368	z0_av_global = z0_av_local
369	#endif
370
371	z0_av_global = z0_av_global / ( ( ny + 1 ) * ( nx + 1 ) )
372	!
373	!-- Horizontal wind speed is zero below and at z0
374	log_z_z0(0) = 0.0_wp
375	!
376	!-- Calculate vertical depth of the sublayers
377	height_int = ( z_p - z0_av_global ) / REAL( number_of_sublayers, KIND=wp )
378	!
379	!-- Precalculate LOG(z/z0)
380	height_p = z0_av_global
381	DO k = 1, number_of_sublayers
382
383	height_p = height_p + height_int
384	log_z_z0(k) = LOG( height_p / z0_av_global )
385
386	ENDDO
387
388	ENDIF
389
390	!
391	!-- Check boundary condition and set internal variables
392	SELECT CASE ( bc_par_b )
393
394	CASE ( 'absorb' )
395	ibc_par_b = 1
396
397	CASE ( 'reflect' )
398	ibc_par_b = 2
399
400	CASE DEFAULT
401	WRITE( message_string, * ) 'unknown boundary condition ', &
402	'bc_par_b = "', TRIM( bc_par_b ), '"'
403	CALL message( 'lpm_init', 'PA0217', 1, 2, 0, 6, 0 )
404
405	END SELECT
406	SELECT CASE ( bc_par_t )
407
408	CASE ( 'absorb' )
409	ibc_par_t = 1
410
411	CASE ( 'reflect' )
412	ibc_par_t = 2
413
414	CASE DEFAULT
415	WRITE( message_string, * ) 'unknown boundary condition ', &
416	'bc_par_t = "', TRIM( bc_par_t ), '"'
417	CALL message( 'lpm_init', 'PA0218', 1, 2, 0, 6, 0 )
418
419	END SELECT
420	SELECT CASE ( bc_par_lr )
421
422	CASE ( 'cyclic' )
423	ibc_par_lr = 0
424
425	CASE ( 'absorb' )
426	ibc_par_lr = 1
427
428	CASE ( 'reflect' )
429	ibc_par_lr = 2
430
431	CASE DEFAULT
432	WRITE( message_string, * ) 'unknown boundary condition ', &
433	'bc_par_lr = "', TRIM( bc_par_lr ), '"'
434	CALL message( 'lpm_init', 'PA0219', 1, 2, 0, 6, 0 )
435
436	END SELECT
437	SELECT CASE ( bc_par_ns )
438
439	CASE ( 'cyclic' )
440	ibc_par_ns = 0
441
442	CASE ( 'absorb' )
443	ibc_par_ns = 1
444
445	CASE ( 'reflect' )
446	ibc_par_ns = 2
447
448	CASE DEFAULT
449	WRITE( message_string, * ) 'unknown boundary condition ', &
450	'bc_par_ns = "', TRIM( bc_par_ns ), '"'
451	CALL message( 'lpm_init', 'PA0220', 1, 2, 0, 6, 0 )
452
453	END SELECT
454
455	!
456	!-- Initialize collision kernels
457	IF ( collision_kernel /= 'none' ) CALL init_kernels
458
459	!
460	!-- For the first model run of a possible job chain initialize the
461	!-- particles, otherwise read the particle data from restart file.
462	IF ( TRIM( initializing_actions ) == 'read_restart_data' &
463	.AND. read_particles_from_restartfile ) THEN
464
465	CALL lpm_read_restart_file
466
467	ELSE
468
469	!
470	!-- Allocate particle arrays and set attributes of the initial set of
471	!-- particles, which can be also periodically released at later times.
472	ALLOCATE( prt_count(nzb:nzt+1,nysg:nyng,nxlg:nxrg), &
473	grid_particles(nzb+1:nzt,nys:nyn,nxl:nxr) )
474
475	maximum_number_of_particles = 0
476	number_of_particles = 0
477
478	sort_count = 0
479	prt_count = 0
480
481	!
482	!-- initialize counter for particle IDs
483	grid_particles%id_counter = 0
484
485	!
486	!-- Initialize all particles with dummy values (otherwise errors may
487	!-- occur within restart runs). The reason for this is still not clear
488	!-- and may be presumably caused by errors in the respective user-interface.
489	zero_particle = particle_type( 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
490	0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
491	0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
492	0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
493	0, 0, 0, 0, .FALSE., -1 )
494
495	particle_groups = particle_groups_type( 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp )
496
497	!
498	!-- Set values for the density ratio and radius for all particle
499	!-- groups, if necessary
500	IF ( density_ratio(1) == 9999999.9_wp ) density_ratio(1) = 0.0_wp
501	IF ( radius(1) == 9999999.9_wp ) radius(1) = 0.0_wp
502	DO i = 2, number_of_particle_groups
503	IF ( density_ratio(i) == 9999999.9_wp ) THEN
504	density_ratio(i) = density_ratio(i-1)
505	ENDIF
506	IF ( radius(i) == 9999999.9_wp ) radius(i) = radius(i-1)
507	ENDDO
508
509	DO i = 1, number_of_particle_groups
510	IF ( density_ratio(i) /= 0.0_wp .AND. radius(i) == 0 ) THEN
511	WRITE( message_string, * ) 'particle group #', i, 'has a', &
512	'density ratio /= 0 but radius = 0'
513	CALL message( 'lpm_init', 'PA0215', 1, 2, 0, 6, 0 )
514	ENDIF
515	particle_groups(i)%density_ratio = density_ratio(i)
516	particle_groups(i)%radius = radius(i)
517	ENDDO
518
519	!
520	!-- Set a seed value for the random number generator to be exclusively
521	!-- used for the particle code. The generated random numbers should be
522	!-- different on the different PEs.
523	iran_part = iran_part + myid
524
525	CALL lpm_create_particle (PHASE_INIT)
526	!
527	!-- User modification of initial particles
528	CALL user_lpm_init
529
530	!
531	!-- Open file for statistical informations about particle conditions
532	IF ( write_particle_statistics ) THEN
533	CALL check_open( 80 )
534	WRITE ( 80, 8000 ) current_timestep_number, simulated_time, &
535	number_of_particles, &
536	maximum_number_of_particles
537	CALL close_file( 80 )
538	ENDIF
539
540	ENDIF
541
542	!
543	!-- To avoid programm abort, assign particles array to the local version of
544	!-- first grid cell
545	number_of_particles = prt_count(nzb+1,nys,nxl)
546	particles => grid_particles(nzb+1,nys,nxl)%particles(1:number_of_particles)
547	!
548	!-- Formats
549	8000 FORMAT (I6,1X,F7.2,4X,I10,71X,I10)
550
551	END SUBROUTINE lpm_init
552
553	!------------------------------------------------------------------------------!
554	! Description:
555	! ------------
556	!> @todo Missing subroutine description.
557	!------------------------------------------------------------------------------!
558	SUBROUTINE lpm_create_particle (phase)
559
560	USE lpm_exchange_horiz_mod, &
561	ONLY: lpm_exchange_horiz, lpm_move_particle, realloc_particles_array
562
563	USE lpm_pack_arrays_mod, &
564	ONLY: lpm_pack_all_arrays
565
566	USE particle_attributes, &
567	ONLY: deleted_particles, monodisperse_aerosols
568
569	IMPLICIT NONE
570
571	INTEGER(iwp) :: alloc_size !< relative increase of allocated memory for particles
572	INTEGER(iwp) :: i !< loop variable ( particle groups )
573	INTEGER(iwp) :: ip !< index variable along x
574	INTEGER(iwp) :: j !< loop variable ( particles per point )
575	INTEGER(iwp) :: jp !< index variable along y
576	INTEGER(iwp) :: kp !< index variable along z
577	INTEGER(iwp) :: loop_stride !< loop variable for initialization
578	INTEGER(iwp) :: n !< loop variable ( number of particles )
579	INTEGER(iwp) :: new_size !< new size of allocated memory for particles
580
581	INTEGER(iwp), INTENT(IN) :: phase !< mode of inititialization
582
583	INTEGER(iwp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: local_count !< start address of new particle
584	INTEGER(iwp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: local_start !< start address of new particle
585
586	LOGICAL :: first_stride !< flag for initialization
587
588	REAL(wp) :: pos_x !< increment for particle position in x
589	REAL(wp) :: pos_y !< increment for particle position in y
590	REAL(wp) :: pos_z !< increment for particle position in z
591	REAL(wp) :: rand_contr !< dummy argument for random position
592
593	TYPE(particle_type),TARGET :: tmp_particle !< temporary particle used for initialization
594
595	!
596	!-- Calculate particle positions and store particle attributes, if
597	!-- particle is situated on this PE
598	DO loop_stride = 1, 2
599	first_stride = (loop_stride == 1)
600	IF ( first_stride ) THEN
601	local_count = 0 ! count number of particles
602	ELSE
603	local_count = prt_count ! Start address of new particles
604	ENDIF
605
606	!
607	!-- Calculate initial_weighting_factor diagnostically
608	IF ( number_concentration /= -1.0_wp .AND. number_concentration > 0.0_wp ) THEN
609	initial_weighting_factor = number_concentration * 1.0E6_wp * &
610	pdx(1) * pdy(1) * pdz(1)
611	END IF
612
613	n = 0
614	DO i = 1, number_of_particle_groups
615
616	pos_z = psb(i)
617
618	DO WHILE ( pos_z <= pst(i) )
619
620	pos_y = pss(i)
621
622	DO WHILE ( pos_y <= psn(i) )
623
624	IF ( pos_y >= ( nys - 0.5_wp ) * dy .AND. &
625	pos_y < ( nyn + 0.5_wp ) * dy ) THEN
626
627	pos_x = psl(i)
628
629	xloop: DO WHILE ( pos_x <= psr(i) )
630
631	IF ( pos_x >= ( nxl - 0.5_wp ) * dx .AND. &
632	pos_x < ( nxr + 0.5_wp ) * dx ) THEN
633
634	DO j = 1, particles_per_point
635
636	n = n + 1
637	tmp_particle%x = pos_x
638	tmp_particle%y = pos_y
639	tmp_particle%z = pos_z
640	tmp_particle%age = 0.0_wp
641	tmp_particle%age_m = 0.0_wp
642	tmp_particle%dt_sum = 0.0_wp
643	tmp_particle%user = 0.0_wp !unused, free for the user
644	tmp_particle%e_m = 0.0_wp
645	IF ( curvature_solution_effects ) THEN
646	!
647	!-- Initial values (internal timesteps, derivative)
648	!-- for Rosenbrock method
649	tmp_particle%rvar1 = 1.0E-6_wp !last Rosenbrock timestep
650	tmp_particle%rvar2 = 0.1E-6_wp !dry aerosol radius
651	tmp_particle%rvar3 = -9999999.9_wp !unused in this configuration
652	ELSE
653	!
654	!-- Initial values for SGS velocities
655	tmp_particle%rvar1 = 0.0_wp
656	tmp_particle%rvar2 = 0.0_wp
657	tmp_particle%rvar3 = 0.0_wp
658	ENDIF
659	tmp_particle%speed_x = 0.0_wp
660	tmp_particle%speed_y = 0.0_wp
661	tmp_particle%speed_z = 0.0_wp
662	tmp_particle%origin_x = pos_x
663	tmp_particle%origin_y = pos_y
664	tmp_particle%origin_z = pos_z
665	tmp_particle%radius = particle_groups(i)%radius
666	tmp_particle%weight_factor = initial_weighting_factor
667	tmp_particle%class = 1
668	tmp_particle%group = i
669	tmp_particle%id1 = 0
670	tmp_particle%id2 = 0
671	tmp_particle%particle_mask = .TRUE.
672	tmp_particle%block_nr = -1
673	!
674	!-- Determine the grid indices of the particle position
675	ip = ( tmp_particle%x + 0.5_wp * dx ) * ddx
676	jp = ( tmp_particle%y + 0.5_wp * dy ) * ddy
677	kp = tmp_particle%z / dz + 1 + offset_ocean_nzt
678
679	IF ( seed_follows_topography ) THEN
680	!
681	!-- Particle height is given relative to topography
682	kp = kp + nzb_w_inner(jp,ip)
683	tmp_particle%z = tmp_particle%z + &
684	zw(nzb_w_inner(jp,ip))
685	IF ( kp > nzt ) THEN
686	pos_x = pos_x + pdx(i)
687	CYCLE xloop
688	ENDIF
689	ELSEIF ( .NOT. seed_follows_topography .AND. &
690	tmp_particle%z <= zw(nzb_w_inner(jp,ip)) ) THEN
691	pos_x = pos_x + pdx(i)
692	CYCLE xloop
693	ENDIF
694
695	local_count(kp,jp,ip) = local_count(kp,jp,ip) + 1
696
697	IF ( .NOT. first_stride ) THEN
698	IF ( ip < nxl .OR. jp < nys .OR. kp < nzb+1 ) THEN
699	write(6,*) 'xl ',ip,jp,kp,nxl,nys,nzb+1
700	ENDIF
701	IF ( ip > nxr .OR. jp > nyn .OR. kp > nzt ) THEN
702	write(6,*) 'xu ',ip,jp,kp,nxr,nyn,nzt
703	ENDIF
704	grid_particles(kp,jp,ip)%particles(local_count(kp,jp,ip)) = tmp_particle
705
706	ENDIF
707	ENDDO
708
709	ENDIF
710
711	pos_x = pos_x + pdx(i)
712
713	ENDDO xloop
714
715	ENDIF
716
717	pos_y = pos_y + pdy(i)
718
719	ENDDO
720
721	pos_z = pos_z + pdz(i)
722
723	ENDDO
724
725	ENDDO
726
727	IF ( first_stride ) THEN
728	DO ip = nxl, nxr
729	DO jp = nys, nyn
730	DO kp = nzb+1, nzt
731	IF ( phase == PHASE_INIT ) THEN
732	IF ( local_count(kp,jp,ip) > 0 ) THEN
733	alloc_size = MAX( INT( local_count(kp,jp,ip) * &
734	( 1.0_wp + alloc_factor / 100.0_wp ) ), &
735	min_nr_particle )
736	ELSE
737	alloc_size = min_nr_particle
738	ENDIF
739	ALLOCATE(grid_particles(kp,jp,ip)%particles(1:alloc_size))
740	DO n = 1, alloc_size
741	grid_particles(kp,jp,ip)%particles(n) = zero_particle
742	ENDDO
743	ELSEIF ( phase == PHASE_RELEASE ) THEN
744	IF ( local_count(kp,jp,ip) > 0 ) THEN
745	new_size = local_count(kp,jp,ip) + prt_count(kp,jp,ip)
746	alloc_size = MAX( INT( new_size * ( 1.0_wp + &
747	alloc_factor / 100.0_wp ) ), min_nr_particle )
748	IF( alloc_size > SIZE( grid_particles(kp,jp,ip)%particles) ) THEN
749	CALL realloc_particles_array(ip,jp,kp,alloc_size)
750	ENDIF
751	ENDIF
752	ENDIF
753	ENDDO
754	ENDDO
755	ENDDO
756	ENDIF
757
758	ENDDO
759
760
761
762	local_start = prt_count+1
763	prt_count = local_count
764
765	!
766	!-- Calculate particle IDs
767	DO ip = nxl, nxr
768	DO jp = nys, nyn
769	DO kp = nzb+1, nzt
770	number_of_particles = prt_count(kp,jp,ip)
771	IF ( number_of_particles <= 0 ) CYCLE
772	particles => grid_particles(kp,jp,ip)%particles(1:number_of_particles)
773
774	DO n = local_start(kp,jp,ip), number_of_particles !only new particles
775
776	particles(n)%id1 = 10000_iwp * grid_particles(kp,jp,ip)%id_counter + kp
777	particles(n)%id2 = 10000_iwp * jp + ip
778
779	grid_particles(kp,jp,ip)%id_counter = &
780	grid_particles(kp,jp,ip)%id_counter + 1
781
782	ENDDO
783
784	ENDDO
785	ENDDO
786	ENDDO
787
788	!
789	!-- Initialize aerosol background spectrum
790	IF ( curvature_solution_effects .AND. .NOT. monodisperse_aerosols ) THEN
791	CALL lpm_init_aerosols(local_start)
792	ENDIF
793
794	!
795	!-- Add random fluctuation to particle positions.
796	IF ( random_start_position ) THEN
797	DO ip = nxl, nxr
798	DO jp = nys, nyn
799	DO kp = nzb+1, nzt
800	number_of_particles = prt_count(kp,jp,ip)
801	IF ( number_of_particles <= 0 ) CYCLE
802	particles => grid_particles(kp,jp,ip)%particles(1:number_of_particles)
803	!
804	!-- Move only new particles. Moreover, limit random fluctuation
805	!-- in order to prevent that particles move more than one grid box,
806	!-- which would lead to problems concerning particle exchange
807	!-- between processors in case pdx/pdy are larger than dx/dy,
808	!-- respectively.
809	DO n = local_start(kp,jp,ip), number_of_particles
810	IF ( psl(particles(n)%group) /= psr(particles(n)%group) ) THEN
811	rand_contr = ( random_function( iran_part ) - 0.5_wp ) * &
812	pdx(particles(n)%group)
813	particles(n)%x = particles(n)%x + &
814	MERGE( rand_contr, SIGN( dx, rand_contr ), &
815	ABS( rand_contr ) < dx &
816	)
817	ENDIF
818	IF ( pss(particles(n)%group) /= psn(particles(n)%group) ) THEN
819	rand_contr = ( random_function( iran_part ) - 0.5_wp ) * &
820	pdy(particles(n)%group)
821	particles(n)%y = particles(n)%y + &
822	MERGE( rand_contr, SIGN( dy, rand_contr ), &
823	ABS( rand_contr ) < dy &
824	)
825	ENDIF
826	IF ( psb(particles(n)%group) /= pst(particles(n)%group) ) THEN
827	rand_contr = ( random_function( iran_part ) - 0.5_wp ) * &
828	pdz(particles(n)%group)
829	particles(n)%z = particles(n)%z + &
830	MERGE( rand_contr, SIGN( dz, rand_contr ), &
831	ABS( rand_contr ) < dz &
832	)
833	ENDIF
834	ENDDO
835	!
836	!-- Identify particles located outside the model domain and reflect
837	!-- or absorb them if necessary.
838	CALL lpm_boundary_conds( 'bottom/top' )
839	!
840	!-- Furthermore, remove particles located in topography. Note, as
841	!-- the particle speed is still zero at this point, wall
842	!-- reflection boundary conditions will not work in this case.
843	particles => &
844	grid_particles(kp,jp,ip)%particles(1:number_of_particles)
845	DO n = local_start(kp,jp,ip), number_of_particles
846	i = ( particles(n)%x + 0.5_wp * dx ) * ddx
847	j = ( particles(n)%y + 0.5_wp * dy ) * ddy
848	IF ( particles(n)%z <= zw(nzb_w_inner(j,i)) ) THEN
849	particles(n)%particle_mask = .FALSE.
850	deleted_particles = deleted_particles + 1
851	ENDIF
852	ENDDO
853	ENDDO
854	ENDDO
855	ENDDO
856	!
857	!-- Exchange particles between grid cells and processors
858	CALL lpm_move_particle
859	CALL lpm_exchange_horiz
860
861	ENDIF
862	!
863	!-- In case of random_start_position, delete particles identified by
864	!-- lpm_exchange_horiz and lpm_boundary_conds. Then sort particles into blocks,
865	!-- which is needed for a fast interpolation of the LES fields on the particle
866	!-- position.
867	CALL lpm_pack_all_arrays
868
869	!
870	!-- Determine maximum number of particles (i.e., all possible particles that
871	!-- have been allocated) and the current number of particles
872	DO ip = nxl, nxr
873	DO jp = nys, nyn
874	DO kp = nzb+1, nzt
875	maximum_number_of_particles = maximum_number_of_particles &
876	+ SIZE(grid_particles(kp,jp,ip)%particles)
877	number_of_particles = number_of_particles &
878	+ prt_count(kp,jp,ip)
879	ENDDO
880	ENDDO
881	ENDDO
882	!
883	!-- Calculate the number of particles of the total domain
884	#if defined( __parallel )
885	IF ( collective_wait ) CALL MPI_BARRIER( comm2d, ierr )
886	CALL MPI_ALLREDUCE( number_of_particles, total_number_of_particles, 1, &
887	MPI_INTEGER, MPI_SUM, comm2d, ierr )
888	#else
889	total_number_of_particles = number_of_particles
890	#endif
891
892	RETURN
893
894	END SUBROUTINE lpm_create_particle
895
896	SUBROUTINE lpm_init_aerosols(local_start)
897
898	USE arrays_3d, &
899	ONLY: hyp, pt, q
900
901	USE cloud_parameters, &
902	ONLY: l_d_rv, rho_l, r_v
903
904	USE constants, &
905	ONLY: pi
906
907	USE kinds
908
909	USE particle_attributes, &
910	ONLY: init_aerosol_probabilistic, molecular_weight_of_solute, &
911	molecular_weight_of_water, n1, n2, n3, rho_s, rm1, rm2, rm3, &
912	s1, s2, s3, vanthoff
913
914	IMPLICIT NONE
915
916	REAL(wp), DIMENSION(:), ALLOCATABLE :: cdf !< CDF of aerosol spectrum
917	REAL(wp), DIMENSION(:), ALLOCATABLE :: r_temp !< dry aerosol radius spectrum
918
919	REAL(wp) :: afactor !< curvature effects
920	REAL(wp) :: bfactor !< solute effects
921	REAL(wp) :: dr !< width of radius bin
922	REAL(wp) :: e_a !< vapor pressure
923	REAL(wp) :: e_s !< saturation vapor pressure
924	REAL(wp) :: n_init !< sum of all aerosol concentrations
925	REAL(wp) :: pdf !< PDF of aerosol spectrum
926	REAL(wp) :: rmin = 1.0e-8_wp !< minimum aerosol radius
927	REAL(wp) :: rmax = 1.0e-6_wp !< maximum aerosol radius
928	REAL(wp) :: rs_rand !< random number
929	REAL(wp) :: r_mid !< mean radius
930	REAL(wp) :: sigma !< surface tension
931	REAL(wp) :: t_int !< temperature
932	REAL(wp) :: weight_sum !< sum of all weighting factors
933
934	INTEGER(iwp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg), INTENT(IN) :: local_start !<
935
936	INTEGER(iwp) :: n !<
937	INTEGER(iwp) :: nn !<
938	INTEGER(iwp) :: no_bins = 999 !< number of bins
939	INTEGER(iwp) :: ip !<
940	INTEGER(iwp) :: jp !<
941	INTEGER(iwp) :: kp !<
942
943	LOGICAL :: new_pdf = .FALSE. !< check if aerosol PDF has to be recalculated
944
945	!
946	!-- Compute aerosol background distribution
947	IF ( init_aerosol_probabilistic ) THEN
948	ALLOCATE( cdf(0:no_bins), r_temp(0:no_bins) )
949	DO n = 0, no_bins
950	r_temp(n) = EXP( LOG(rmin) + ( LOG(rmax) - LOG(rmin ) ) / &
951	REAL(no_bins, KIND=wp) * REAL(n, KIND=wp) )
952
953	cdf(n) = 0.0_wp
954	n_init = n1 + n2 + n3
955	IF ( n1 > 0.0_wp ) THEN
956	cdf(n) = cdf(n) + n1 / n_init * ( 0.5_wp + 0.5_wp * &
957	ERF( LOG( r_temp(n) / rm1 ) / &
958	( SQRT(2.0_wp) * LOG(s1) ) &
959	) )
960	ENDIF
961	IF ( n2 > 0.0_wp ) THEN
962	cdf(n) = cdf(n) + n2 / n_init * ( 0.5_wp + 0.5_wp * &
963	ERF( LOG( r_temp(n) / rm2 ) / &
964	( SQRT(2.0_wp) * LOG(s2) ) &
965	) )
966	ENDIF
967	IF ( n3 > 0.0_wp ) THEN
968	cdf(n) = cdf(n) + n3 / n_init * ( 0.5_wp + 0.5_wp * &
969	ERF( LOG( r_temp(n) / rm3 ) / &
970	( SQRT(2.0_wp) * LOG(s3) ) &
971	) )
972	ENDIF
973
974	ENDDO
975	ENDIF
976
977	DO ip = nxl, nxr
978	DO jp = nys, nyn
979	DO kp = nzb+1, nzt
980
981	number_of_particles = prt_count(kp,jp,ip)
982	IF ( number_of_particles <= 0 ) CYCLE
983	particles => grid_particles(kp,jp,ip)%particles(1:number_of_particles)
984	!
985	!-- Initialize the aerosols with a predefined spectral distribution
986	!-- of the dry radius (logarithmically increasing bins) and a varying
987	!-- weighting factor
988	IF ( .NOT. init_aerosol_probabilistic ) THEN
989
990	new_pdf = .FALSE.
991	IF ( .NOT. ALLOCATED( r_temp ) ) THEN
992	new_pdf = .TRUE.
993	ELSE
994	IF ( SIZE( r_temp ) .NE. &
995	number_of_particles - local_start(kp,jp,ip) + 2 ) THEN
996	new_pdf = .TRUE.
997	DEALLOCATE( r_temp )
998	ENDIF
999	ENDIF
1000
1001	IF ( new_pdf ) THEN
1002
1003	no_bins = number_of_particles + 1 - local_start(kp,jp,ip)
1004	ALLOCATE( r_temp(0:no_bins) )
1005
1006	DO n = 0, no_bins
1007	r_temp(n) = EXP( LOG(rmin) + ( LOG(rmax) - LOG(rmin ) ) / &
1008	REAL(no_bins, KIND=wp) * &
1009	REAL(n, KIND=wp) )
1010	ENDDO
1011
1012	ENDIF
1013
1014	!
1015	!-- Calculate radius and concentration of each aerosol
1016	DO n = local_start(kp,jp,ip), number_of_particles
1017
1018	nn = n - local_start(kp,jp,ip)
1019
1020	r_mid = SQRT( r_temp(nn) * r_temp(nn+1) )
1021	dr = r_temp(nn+1) - r_temp(nn)
1022
1023	pdf = 0.0_wp
1024	n_init = n1 + n2 + n3
1025	IF ( n1 > 0.0_wp ) THEN
1026	pdf = pdf + n1 / n_init * ( 1.0_wp / ( r_mid * LOG(s1) * &
1027	SQRT( 2.0_wp * pi ) &
1028	) * &
1029	EXP( -( LOG( r_mid / rm1 ) )**2 / &
1030	( 2.0_wp * LOG(s1)**2 ) &
1031	) &
1032	)
1033	ENDIF
1034	IF ( n2 > 0.0_wp ) THEN
1035	pdf = pdf + n2 / n_init * ( 1.0_wp / ( r_mid * LOG(s2) * &
1036	SQRT( 2.0_wp * pi ) &
1037	) * &
1038	EXP( -( LOG( r_mid / rm2 ) )**2 / &
1039	( 2.0_wp * LOG(s2)**2 ) &
1040	) &
1041	)
1042	ENDIF
1043	IF ( n3 > 0.0_wp ) THEN
1044	pdf = pdf + n3 / n_init * ( 1.0_wp / ( r_mid * LOG(s3) * &
1045	SQRT( 2.0_wp * pi ) &
1046	) * &
1047	EXP( -( LOG( r_mid / rm3 ) )**2 / &
1048	( 2.0_wp * LOG(s3)**2 ) &
1049	) &
1050	)
1051	ENDIF
1052
1053	particles(n)%rvar2 = r_mid
1054	particles(n)%weight_factor = pdf * dr
1055
1056	END DO
1057	!
1058	!-- Adjust weighting factors to initialize the same number of aerosols
1059	!-- in every grid box
1060	weight_sum = SUM(particles(local_start(kp,jp,ip):number_of_particles)%weight_factor)
1061
1062	particles(local_start(kp,jp,ip):number_of_particles)%weight_factor = &
1063	particles(local_start(kp,jp,ip):number_of_particles)%weight_factor / &
1064	weight_sum * initial_weighting_factor * ( no_bins + 1 )
1065
1066	ENDIF
1067	!
1068	!-- Initialize the aerosols with a predefined weighting factor but
1069	!-- a randomly choosen dry radius
1070	IF ( init_aerosol_probabilistic ) THEN
1071
1072	DO n = local_start(kp,jp,ip), number_of_particles !only new particles
1073
1074	rs_rand = -1.0_wp
1075	DO WHILE ( rs_rand .LT. cdf(0) .OR. rs_rand .GE. cdf(no_bins) )
1076	rs_rand = random_function( iran_part )
1077	ENDDO
1078	!
1079	!-- Determine aerosol dry radius by a random number generator
1080	DO nn = 0, no_bins-1
1081	IF ( cdf(nn) .LE. rs_rand .AND. cdf(nn+1) .GT. rs_rand ) THEN
1082	particles(n)%rvar2 = r_temp(nn) + ( r_temp(nn+1) - r_temp(nn) ) / &
1083	( cdf(nn+1) - cdf(nn) ) * ( rs_rand - cdf(nn) )
1084	EXIT
1085	ENDIF
1086	ENDDO
1087
1088	ENDDO
1089
1090	ENDIF
1091
1092	!
1093	!-- Set particle radius to equilibrium radius based on the environmental
1094	!-- supersaturation (Khvorostyanov and Curry, 2007, JGR). This avoids
1095	!-- the sometimes lengthy growth toward their equilibrium radius within
1096	!-- the simulation.
1097	t_int = pt(kp,jp,ip) * ( hyp(kp) / 100000.0_wp )**0.286_wp
1098
1099	e_s = 611.0_wp * EXP( l_d_rv * ( 3.6609E-3_wp - 1.0_wp / t_int ) )
1100	e_a = q(kp,jp,ip) * hyp(kp) / ( 0.378_wp * q(kp,jp,ip) + 0.622_wp )
1101
1102	sigma = 0.0761_wp - 0.000155_wp * ( t_int - 273.15_wp )
1103	afactor = 2.0_wp * sigma / ( rho_l * r_v * t_int )
1104
1105	bfactor = vanthoff * molecular_weight_of_water * &
1106	rho_s / ( molecular_weight_of_solute * rho_l )
1107	!
1108	!-- The formula is only valid for subsaturated environments. For
1109	!-- supersaturations higher than -5 %, the supersaturation is set to -5%.
1110	IF ( e_a / e_s >= 0.95_wp ) e_a = 0.95_wp * e_s
1111
1112	DO n = local_start(kp,jp,ip), number_of_particles !only new particles
1113	!
1114	!-- For details on this equation, see Eq. (14) of Khvorostyanov and
1115	!-- Curry (2007, JGR)
1116	particles(n)%radius = bfactor*0.3333333_wp &
1117	particles(n)%rvar2 / ( 1.0_wp - e_a / e_s )**0.3333333_wp / &
1118	( 1.0_wp + ( afactor / ( 3.0_wp * bfactor*0.3333333_wp &
1119	particles(n)%rvar2 ) ) / &
1120	( 1.0_wp - e_a / e_s )**0.6666666_wp &
1121	)
1122
1123	ENDDO
1124
1125	ENDDO
1126	ENDDO
1127	ENDDO
1128	!
1129	!-- Deallocate used arrays
1130	IF ( ALLOCATED(r_temp) ) DEALLOCATE( r_temp )
1131	IF ( ALLOCATED(cdf) ) DEALLOCATE( cdf )
1132
1133	END SUBROUTINE lpm_init_aerosols
1134
1135	END MODULE lpm_init_mod

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