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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 2224 2017-05-15 16:38:37Z hellstea $
27	!
28	! 2223 2017-05-15 16:38:09Z suehring
29	! Add check for particle release at model top
30	!
31	! 2182 2017-03-17 14:27:40Z schwenkel
32	! Added parameters for simplified particle initialization.
33	!
34	! 2122 2017-01-18 12:22:54Z hoffmann
35	! Improved initialization of equilibrium aerosol radii
36	! Calculation of particle ID
37	!
38	! 2000 2016-08-20 18:09:15Z knoop
39	! Forced header and separation lines into 80 columns
40	!
41	! 2016-06-09 16:25:25Z suehring
42	! Bugfix in determining initial particle height and grid index in case of
43	! seed_follows_topography.
44	! Bugfix concerning random positions, ensure that particles do not move more
45	! than one grid length.
46	! Bugfix logarithmic interpolation.
47	! Initial setting of sgs_wf_part.
48	!
49	! 1890 2016-04-22 08:52:11Z hoffmann
50	! Initialization of aerosol equilibrium radius not possible in supersaturated
51	! environments. Therefore, a maximum supersaturation of -1 % is assumed during
52	! initialization.
53	!
54	! 1873 2016-04-18 14:50:06Z maronga
55	! Module renamed (removed _mod
56	!
57	! 1871 2016-04-15 11:46:09Z hoffmann
58	! Initialization of aerosols added.
59	!
60	! 1850 2016-04-08 13:29:27Z maronga
61	! Module renamed
62	!
63	! 1831 2016-04-07 13:15:51Z hoffmann
64	! curvature_solution_effects moved to particle_attributes
65	!
66	! 1822 2016-04-07 07:49:42Z hoffmann
67	! Unused variables removed.
68	!
69	! 1783 2016-03-06 18:36:17Z raasch
70	! netcdf module added
71	!
72	! 1725 2015-11-17 13:01:51Z hoffmann
73	! Bugfix: Processor-dependent seed for random function is generated before it is
74	! used.
75	!
76	! 1691 2015-10-26 16:17:44Z maronga
77	! Renamed prandtl_layer to constant_flux_layer.
78	!
79	! 1685 2015-10-08 07:32:13Z raasch
80	! bugfix concerning vertical index offset in case of ocean
81	!
82	! 1682 2015-10-07 23:56:08Z knoop
83	! Code annotations made doxygen readable
84	!
85	! 1575 2015-03-27 09:56:27Z raasch
86	! initial vertical particle position is allowed to follow the topography
87	!
88	! 1359 2014-04-11 17:15:14Z hoffmann
89	! New particle structure integrated.
90	! Kind definition added to all floating point numbers.
91	! lpm_init changed form a subroutine to a module.
92	!
93	! 1327 2014-03-21 11:00:16Z raasch
94	! -netcdf_output
95	!
96	! 1322 2014-03-20 16:38:49Z raasch
97	! REAL functions provided with KIND-attribute
98	!
99	! 1320 2014-03-20 08:40:49Z raasch
100	! ONLY-attribute added to USE-statements,
101	! kind-parameters added to all INTEGER and REAL declaration statements,
102	! kinds are defined in new module kinds,
103	! revision history before 2012 removed,
104	! comment fields (!:) to be used for variable explanations added to
105	! all variable declaration statements
106	! bugfix: #if defined( __parallel ) added
107	!
108	! 1314 2014-03-14 18:25:17Z suehring
109	! Vertical logarithmic interpolation of horizontal particle speed for particles
110	! between roughness height and first vertical grid level.
111	!
112	! 1092 2013-02-02 11:24:22Z raasch
113	! unused variables removed
114	!
115	! 1036 2012-10-22 13:43:42Z raasch
116	! code put under GPL (PALM 3.9)
117	!
118	! 849 2012-03-15 10:35:09Z raasch
119	! routine renamed: init_particles -> lpm_init
120	! de_dx, de_dy, de_dz are allocated here (instead of automatic arrays in
121	! advec_particles),
122	! sort_particles renamed lpm_sort_arrays, user_init_particles renamed lpm_init
123	!
124	! 828 2012-02-21 12:00:36Z raasch
125	! call of init_kernels, particle feature color renamed class
126	!
127	! 824 2012-02-17 09:09:57Z raasch
128	! particle attributes speed_x\|y\|z_sgs renamed rvar1\|2\|3,
129	! array particles implemented as pointer
130	!
131	! 667 2010-12-23 12:06:00Z suehring/gryschka
132	! nxl-1, nxr+1, nys-1, nyn+1 replaced by nxlg, nxrg, nysg, nyng for allocation
133	! of arrays.
134	!
135	! Revision 1.1 1999/11/25 16:22:38 raasch
136	! Initial revision
137	!
138	!
139	! Description:
140	! ------------
141	!> This routine initializes a set of particles and their attributes (position,
142	!> radius, ..) which are used by the Lagrangian particle model (see lpm).
143	!------------------------------------------------------------------------------!
144	MODULE lpm_init_mod
145
146
147	USE arrays_3d, &
148	ONLY: de_dx, de_dy, de_dz, zu, zw, z0
149
150	USE control_parameters, &
151	ONLY: cloud_droplets, constant_flux_layer, current_timestep_number, &
152	dz, initializing_actions, message_string, ocean, simulated_time
153
154	USE grid_variables, &
155	ONLY: ddx, dx, ddy, dy
156
157	USE indices, &
158	ONLY: nx, nxl, nxlg, nxrg, nxr, ny, nyn, nys, nyng, nysg, nz, nzb, &
159	nzb_w_inner, nzt
160
161	USE kinds
162
163	USE lpm_collision_kernels_mod, &
164	ONLY: init_kernels
165
166	USE netcdf_interface, &
167	ONLY: netcdf_data_format
168
169	USE particle_attributes, &
170	ONLY: alloc_factor, bc_par_b, bc_par_lr, bc_par_ns, bc_par_t, &
171	block_offset, block_offset_def, collision_kernel, &
172	curvature_solution_effects, &
173	density_ratio, grid_particles, &
174	initial_weighting_factor, ibc_par_b, ibc_par_lr, ibc_par_ns, &
175	ibc_par_t, iran_part, log_z_z0, &
176	max_number_of_particle_groups, maximum_number_of_particles, &
177	min_nr_particle, mpi_particle_type, &
178	number_concentration, number_particles_per_gridbox, &
179	number_of_particles, &
180	number_of_particle_groups, number_of_sublayers, &
181	offset_ocean_nzt, offset_ocean_nzt_m1, &
182	particles, particle_advection_start, particle_groups, &
183	particle_groups_type, particles_per_point, &
184	particle_type, pdx, pdy, pdz, &
185	prt_count, psb, psl, psn, psr, pss, pst, &
186	radius, random_start_position, read_particles_from_restartfile,&
187	seed_follows_topography, sgs_wf_part, sort_count, &
188	total_number_of_particles, &
189	use_sgs_for_particles, &
190	write_particle_statistics, uniform_particles, zero_particle, &
191	z0_av_global
192
193	USE pegrid
194
195	USE random_function_mod, &
196	ONLY: random_function
197
198	IMPLICIT NONE
199
200	PRIVATE
201
202	INTEGER(iwp), PARAMETER :: PHASE_INIT = 1 !<
203	INTEGER(iwp), PARAMETER, PUBLIC :: PHASE_RELEASE = 2 !<
204
205	INTERFACE lpm_init
206	MODULE PROCEDURE lpm_init
207	END INTERFACE lpm_init
208
209	INTERFACE lpm_create_particle
210	MODULE PROCEDURE lpm_create_particle
211	END INTERFACE lpm_create_particle
212
213	PUBLIC lpm_init, lpm_create_particle
214
215	CONTAINS
216
217	!------------------------------------------------------------------------------!
218	! Description:
219	! ------------
220	!> @todo Missing subroutine description.
221	!------------------------------------------------------------------------------!
222	SUBROUTINE lpm_init
223
224	USE lpm_collision_kernels_mod, &
225	ONLY: init_kernels
226
227	IMPLICIT NONE
228
229	INTEGER(iwp) :: i !<
230	INTEGER(iwp) :: j !<
231	INTEGER(iwp) :: k !<
232
233	#if defined( __parallel )
234	INTEGER(iwp), DIMENSION(3) :: blocklengths !<
235	INTEGER(iwp), DIMENSION(3) :: displacements !<
236	INTEGER(iwp), DIMENSION(3) :: types !<
237	#endif
238
239	REAL(wp) :: div !<
240	REAL(wp) :: height_int !<
241	REAL(wp) :: height_p !<
242	REAL(wp) :: z_p !<
243	REAL(wp) :: z0_av_local !<
244
245	#if defined( __parallel )
246	!
247	!-- Define MPI derived datatype for FORTRAN datatype particle_type (see module
248	!-- particle_attributes). Integer length is 4 byte, Real is 8 byte
249	blocklengths(1) = 19; blocklengths(2) = 6; blocklengths(3) = 1
250	displacements(1) = 0; displacements(2) = 152; displacements(3) = 176
251
252	types(1) = MPI_REAL
253	types(2) = MPI_INTEGER
254	types(3) = MPI_UB
255	CALL MPI_TYPE_STRUCT( 3, blocklengths, displacements, types, &
256	mpi_particle_type, ierr )
257	CALL MPI_TYPE_COMMIT( mpi_particle_type, ierr )
258	#endif
259
260	!
261	!-- In case of oceans runs, the vertical index calculations need an offset,
262	!-- because otherwise the k indices will become negative
263	IF ( ocean ) THEN
264	offset_ocean_nzt = nzt
265	offset_ocean_nzt_m1 = nzt - 1
266	ENDIF
267
268	!
269	!-- Define block offsets for dividing a gridcell in 8 sub cells
270
271	block_offset(0) = block_offset_def (-1,-1,-1)
272	block_offset(1) = block_offset_def (-1,-1, 0)
273	block_offset(2) = block_offset_def (-1, 0,-1)
274	block_offset(3) = block_offset_def (-1, 0, 0)
275	block_offset(4) = block_offset_def ( 0,-1,-1)
276	block_offset(5) = block_offset_def ( 0,-1, 0)
277	block_offset(6) = block_offset_def ( 0, 0,-1)
278	block_offset(7) = block_offset_def ( 0, 0, 0)
279	!
280	!-- Check the number of particle groups.
281	IF ( number_of_particle_groups > max_number_of_particle_groups ) THEN
282	WRITE( message_string, * ) 'max_number_of_particle_groups =', &
283	max_number_of_particle_groups , &
284	'&number_of_particle_groups reset to ', &
285	max_number_of_particle_groups
286	CALL message( 'lpm_init', 'PA0213', 0, 1, 0, 6, 0 )
287	number_of_particle_groups = max_number_of_particle_groups
288	ENDIF
289
290	!
291	!-- Set default start positions, if necessary
292	IF ( psl(1) == 9999999.9_wp ) psl(1) = -0.5_wp * dx
293	IF ( psr(1) == 9999999.9_wp ) psr(1) = ( nx + 0.5_wp ) * dx
294	IF ( pss(1) == 9999999.9_wp ) pss(1) = -0.5_wp * dy
295	IF ( psn(1) == 9999999.9_wp ) psn(1) = ( ny + 0.5_wp ) * dy
296	IF ( psb(1) == 9999999.9_wp ) psb(1) = zu(nz/2)
297	IF ( pst(1) == 9999999.9_wp ) pst(1) = psb(1)
298
299	IF ( pdx(1) == 9999999.9_wp .OR. pdx(1) == 0.0_wp ) pdx(1) = dx
300	IF ( pdy(1) == 9999999.9_wp .OR. pdy(1) == 0.0_wp ) pdy(1) = dy
301	IF ( pdz(1) == 9999999.9_wp .OR. pdz(1) == 0.0_wp ) pdz(1) = zu(2) - zu(1)
302
303	!
304	!-- If number_particles_per_gridbox is set, the parametres pdx, pdy and pdz are
305	!-- calculated diagnostically. Therfore an isotropic distribution is prescribed.
306	IF ( number_particles_per_gridbox /= -1 .AND. &
307	number_particles_per_gridbox >= 1 ) THEN
308	pdx(1) = (( dx * dy * ( zu(2) - zu(1) ) ) / &
309	REAL(number_particles_per_gridbox))**0.3333333_wp
310	!
311	!-- Ensure a smooth value (two significant digits) of distance between
312	!-- particles (pdx, pdy, pdz).
313	div = 1000.0_wp
314	DO WHILE ( pdx(1) < div )
315	div = div / 10.0_wp
316	ENDDO
317	pdx(1) = NINT( pdx(1) * 100.0_wp / div ) * div / 100.0_wp
318	pdy(1) = pdx(1)
319	pdz(1) = pdx(1)
320
321	ENDIF
322
323	DO j = 2, number_of_particle_groups
324	IF ( psl(j) == 9999999.9_wp ) psl(j) = psl(j-1)
325	IF ( psr(j) == 9999999.9_wp ) psr(j) = psr(j-1)
326	IF ( pss(j) == 9999999.9_wp ) pss(j) = pss(j-1)
327	IF ( psn(j) == 9999999.9_wp ) psn(j) = psn(j-1)
328	IF ( psb(j) == 9999999.9_wp ) psb(j) = psb(j-1)
329	IF ( pst(j) == 9999999.9_wp ) pst(j) = pst(j-1)
330	IF ( pdx(j) == 9999999.9_wp .OR. pdx(j) == 0.0_wp ) pdx(j) = pdx(j-1)
331	IF ( pdy(j) == 9999999.9_wp .OR. pdy(j) == 0.0_wp ) pdy(j) = pdy(j-1)
332	IF ( pdz(j) == 9999999.9_wp .OR. pdz(j) == 0.0_wp ) pdz(j) = pdz(j-1)
333	ENDDO
334
335	!
336	!-- Allocate arrays required for calculating particle SGS velocities.
337	!-- Initialize prefactor required for stoachastic Weil equation.
338	IF ( use_sgs_for_particles .AND. .NOT. cloud_droplets ) THEN
339	ALLOCATE( de_dx(nzb:nzt+1,nysg:nyng,nxlg:nxrg), &
340	de_dy(nzb:nzt+1,nysg:nyng,nxlg:nxrg), &
341	de_dz(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
342
343	sgs_wf_part = 1.0_wp / 3.0_wp
344	ENDIF
345
346	!
347	!-- Allocate array required for logarithmic vertical interpolation of
348	!-- horizontal particle velocities between the surface and the first vertical
349	!-- grid level. In order to avoid repeated CPU cost-intensive CALLS of
350	!-- intrinsic FORTRAN procedure LOG(z/z0), LOG(z/z0) is precalculated for
351	!-- several heights. Splitting into 20 sublayers turned out to be sufficient.
352	!-- To obtain exact height levels of particles, linear interpolation is applied
353	!-- (see lpm_advec.f90).
354	IF ( constant_flux_layer ) THEN
355
356	ALLOCATE ( log_z_z0(0:number_of_sublayers) )
357	z_p = zu(nzb+1) - zw(nzb)
358
359	!
360	!-- Calculate horizontal mean value of z0 used for logartihmic
361	!-- interpolation. Note: this is not exact for heterogeneous z0.
362	!-- However, sensitivity studies showed that the effect is
363	!-- negligible.
364	z0_av_local = SUM( z0(nys:nyn,nxl:nxr) )
365	z0_av_global = 0.0_wp
366
367	#if defined( __parallel )
368	CALL MPI_ALLREDUCE(z0_av_local, z0_av_global, 1, MPI_REAL, MPI_SUM, &
369	comm2d, ierr )
370	#else
371	z0_av_global = z0_av_local
372	#endif
373
374	z0_av_global = z0_av_global / ( ( ny + 1 ) * ( nx + 1 ) )
375	!
376	!-- Horizontal wind speed is zero below and at z0
377	log_z_z0(0) = 0.0_wp
378	!
379	!-- Calculate vertical depth of the sublayers
380	height_int = ( z_p - z0_av_global ) / REAL( number_of_sublayers, KIND=wp )
381	!
382	!-- Precalculate LOG(z/z0)
383	height_p = z0_av_global
384	DO k = 1, number_of_sublayers
385
386	height_p = height_p + height_int
387	log_z_z0(k) = LOG( height_p / z0_av_global )
388
389	ENDDO
390
391	ENDIF
392
393	!
394	!-- Check boundary condition and set internal variables
395	SELECT CASE ( bc_par_b )
396
397	CASE ( 'absorb' )
398	ibc_par_b = 1
399
400	CASE ( 'reflect' )
401	ibc_par_b = 2
402
403	CASE DEFAULT
404	WRITE( message_string, * ) 'unknown boundary condition ', &
405	'bc_par_b = "', TRIM( bc_par_b ), '"'
406	CALL message( 'lpm_init', 'PA0217', 1, 2, 0, 6, 0 )
407
408	END SELECT
409	SELECT CASE ( bc_par_t )
410
411	CASE ( 'absorb' )
412	ibc_par_t = 1
413
414	CASE ( 'reflect' )
415	ibc_par_t = 2
416
417	CASE DEFAULT
418	WRITE( message_string, * ) 'unknown boundary condition ', &
419	'bc_par_t = "', TRIM( bc_par_t ), '"'
420	CALL message( 'lpm_init', 'PA0218', 1, 2, 0, 6, 0 )
421
422	END SELECT
423	SELECT CASE ( bc_par_lr )
424
425	CASE ( 'cyclic' )
426	ibc_par_lr = 0
427
428	CASE ( 'absorb' )
429	ibc_par_lr = 1
430
431	CASE ( 'reflect' )
432	ibc_par_lr = 2
433
434	CASE DEFAULT
435	WRITE( message_string, * ) 'unknown boundary condition ', &
436	'bc_par_lr = "', TRIM( bc_par_lr ), '"'
437	CALL message( 'lpm_init', 'PA0219', 1, 2, 0, 6, 0 )
438
439	END SELECT
440	SELECT CASE ( bc_par_ns )
441
442	CASE ( 'cyclic' )
443	ibc_par_ns = 0
444
445	CASE ( 'absorb' )
446	ibc_par_ns = 1
447
448	CASE ( 'reflect' )
449	ibc_par_ns = 2
450
451	CASE DEFAULT
452	WRITE( message_string, * ) 'unknown boundary condition ', &
453	'bc_par_ns = "', TRIM( bc_par_ns ), '"'
454	CALL message( 'lpm_init', 'PA0220', 1, 2, 0, 6, 0 )
455
456	END SELECT
457
458	!
459	!-- Initialize collision kernels
460	IF ( collision_kernel /= 'none' ) CALL init_kernels
461
462	!
463	!-- For the first model run of a possible job chain initialize the
464	!-- particles, otherwise read the particle data from restart file.
465	IF ( TRIM( initializing_actions ) == 'read_restart_data' &
466	.AND. read_particles_from_restartfile ) THEN
467
468	CALL lpm_read_restart_file
469
470	ELSE
471
472	!
473	!-- Allocate particle arrays and set attributes of the initial set of
474	!-- particles, which can be also periodically released at later times.
475	ALLOCATE( prt_count(nzb:nzt+1,nysg:nyng,nxlg:nxrg), &
476	grid_particles(nzb+1:nzt,nys:nyn,nxl:nxr) )
477
478	maximum_number_of_particles = 0
479	number_of_particles = 0
480
481	sort_count = 0
482	prt_count = 0
483
484	!
485	!-- initialize counter for particle IDs
486	grid_particles%id_counter = 0
487
488	!
489	!-- Initialize all particles with dummy values (otherwise errors may
490	!-- occur within restart runs). The reason for this is still not clear
491	!-- and may be presumably caused by errors in the respective user-interface.
492	zero_particle = particle_type( 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
493	0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
494	0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
495	0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
496	0, 0, 0, 0, .FALSE., -1 )
497
498	particle_groups = particle_groups_type( 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp )
499
500	!
501	!-- Set values for the density ratio and radius for all particle
502	!-- groups, if necessary
503	IF ( density_ratio(1) == 9999999.9_wp ) density_ratio(1) = 0.0_wp
504	IF ( radius(1) == 9999999.9_wp ) radius(1) = 0.0_wp
505	DO i = 2, number_of_particle_groups
506	IF ( density_ratio(i) == 9999999.9_wp ) THEN
507	density_ratio(i) = density_ratio(i-1)
508	ENDIF
509	IF ( radius(i) == 9999999.9_wp ) radius(i) = radius(i-1)
510	ENDDO
511
512	DO i = 1, number_of_particle_groups
513	IF ( density_ratio(i) /= 0.0_wp .AND. radius(i) == 0 ) THEN
514	WRITE( message_string, * ) 'particle group #', i, 'has a', &
515	'density ratio /= 0 but radius = 0'
516	CALL message( 'lpm_init', 'PA0215', 1, 2, 0, 6, 0 )
517	ENDIF
518	particle_groups(i)%density_ratio = density_ratio(i)
519	particle_groups(i)%radius = radius(i)
520	ENDDO
521
522	!
523	!-- Set a seed value for the random number generator to be exclusively
524	!-- used for the particle code. The generated random numbers should be
525	!-- different on the different PEs.
526	iran_part = iran_part + myid
527
528	CALL lpm_create_particle (PHASE_INIT)
529	!
530	!-- User modification of initial particles
531	CALL user_lpm_init
532
533	!
534	!-- Open file for statistical informations about particle conditions
535	IF ( write_particle_statistics ) THEN
536	CALL check_open( 80 )
537	WRITE ( 80, 8000 ) current_timestep_number, simulated_time, &
538	number_of_particles, &
539	maximum_number_of_particles
540	CALL close_file( 80 )
541	ENDIF
542
543	ENDIF
544
545	!
546	!-- To avoid programm abort, assign particles array to the local version of
547	!-- first grid cell
548	number_of_particles = prt_count(nzb+1,nys,nxl)
549	particles => grid_particles(nzb+1,nys,nxl)%particles(1:number_of_particles)
550	!
551	!-- Formats
552	8000 FORMAT (I6,1X,F7.2,4X,I10,71X,I10)
553
554	END SUBROUTINE lpm_init
555
556	!------------------------------------------------------------------------------!
557	! Description:
558	! ------------
559	!> @todo Missing subroutine description.
560	!------------------------------------------------------------------------------!
561	SUBROUTINE lpm_create_particle (phase)
562
563	USE lpm_exchange_horiz_mod, &
564	ONLY: lpm_exchange_horiz, lpm_move_particle, realloc_particles_array
565
566	USE lpm_pack_arrays_mod, &
567	ONLY: lpm_pack_all_arrays
568
569	USE particle_attributes, &
570	ONLY: deleted_particles, monodisperse_aerosols
571
572	IMPLICIT NONE
573
574	INTEGER(iwp) :: alloc_size !< relative increase of allocated memory for particles
575	INTEGER(iwp) :: i !< loop variable ( particle groups )
576	INTEGER(iwp) :: ip !< index variable along x
577	INTEGER(iwp) :: j !< loop variable ( particles per point )
578	INTEGER(iwp) :: jp !< index variable along y
579	INTEGER(iwp) :: kp !< index variable along z
580	INTEGER(iwp) :: loop_stride !< loop variable for initialization
581	INTEGER(iwp) :: n !< loop variable ( number of particles )
582	INTEGER(iwp) :: new_size !< new size of allocated memory for particles
583
584	INTEGER(iwp), INTENT(IN) :: phase !< mode of inititialization
585
586	INTEGER(iwp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: local_count !< start address of new particle
587	INTEGER(iwp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: local_start !< start address of new particle
588
589	LOGICAL :: first_stride !< flag for initialization
590
591	REAL(wp) :: pos_x !< increment for particle position in x
592	REAL(wp) :: pos_y !< increment for particle position in y
593	REAL(wp) :: pos_z !< increment for particle position in z
594	REAL(wp) :: rand_contr !< dummy argument for random position
595
596	TYPE(particle_type),TARGET :: tmp_particle !< temporary particle used for initialization
597
598	!
599	!-- Calculate particle positions and store particle attributes, if
600	!-- particle is situated on this PE
601	DO loop_stride = 1, 2
602	first_stride = (loop_stride == 1)
603	IF ( first_stride ) THEN
604	local_count = 0 ! count number of particles
605	ELSE
606	local_count = prt_count ! Start address of new particles
607	ENDIF
608
609	!
610	!-- Calculate initial_weighting_factor diagnostically
611	IF ( number_concentration /= -1.0_wp .AND. number_concentration > 0.0_wp ) THEN
612	initial_weighting_factor = number_concentration * 1.0E6_wp * &
613	pdx(1) * pdy(1) * pdz(1)
614	END IF
615
616	n = 0
617	DO i = 1, number_of_particle_groups
618
619	pos_z = psb(i)
620
621	DO WHILE ( pos_z <= pst(i) )
622
623	IF ( pos_z >= 0.0_wp .AND. pos_z < zw(nzt) ) THEN
624
625
626	pos_y = pss(i)
627
628	DO WHILE ( pos_y <= psn(i) )
629
630	IF ( pos_y >= ( nys - 0.5_wp ) * dy .AND. &
631	pos_y < ( nyn + 0.5_wp ) * dy ) THEN
632
633	pos_x = psl(i)
634
635	xloop: DO WHILE ( pos_x <= psr(i) )
636
637	IF ( pos_x >= ( nxl - 0.5_wp ) * dx .AND. &
638	pos_x < ( nxr + 0.5_wp ) * dx ) THEN
639
640	DO j = 1, particles_per_point
641
642	n = n + 1
643	tmp_particle%x = pos_x
644	tmp_particle%y = pos_y
645	tmp_particle%z = pos_z
646	tmp_particle%age = 0.0_wp
647	tmp_particle%age_m = 0.0_wp
648	tmp_particle%dt_sum = 0.0_wp
649	tmp_particle%user = 0.0_wp !unused, free for the user
650	tmp_particle%e_m = 0.0_wp
651	IF ( curvature_solution_effects ) THEN
652	!
653	!-- Initial values (internal timesteps, derivative)
654	!-- for Rosenbrock method
655	tmp_particle%rvar1 = 1.0E-6_wp !last Rosenbrock timestep
656	tmp_particle%rvar2 = 0.1E-6_wp !dry aerosol radius
657	tmp_particle%rvar3 = -9999999.9_wp !unused in this configuration
658	ELSE
659	!
660	!-- Initial values for SGS velocities
661	tmp_particle%rvar1 = 0.0_wp
662	tmp_particle%rvar2 = 0.0_wp
663	tmp_particle%rvar3 = 0.0_wp
664	ENDIF
665	tmp_particle%speed_x = 0.0_wp
666	tmp_particle%speed_y = 0.0_wp
667	tmp_particle%speed_z = 0.0_wp
668	tmp_particle%origin_x = pos_x
669	tmp_particle%origin_y = pos_y
670	tmp_particle%origin_z = pos_z
671	tmp_particle%radius = particle_groups(i)%radius
672	tmp_particle%weight_factor = initial_weighting_factor
673	tmp_particle%class = 1
674	tmp_particle%group = i
675	tmp_particle%id1 = 0
676	tmp_particle%id2 = 0
677	tmp_particle%particle_mask = .TRUE.
678	tmp_particle%block_nr = -1
679	!
680	!-- Determine the grid indices of the particle position
681	ip = ( tmp_particle%x + 0.5_wp * dx ) * ddx
682	jp = ( tmp_particle%y + 0.5_wp * dy ) * ddy
683	kp = tmp_particle%z / dz + 1 + offset_ocean_nzt
684
685	IF ( seed_follows_topography ) THEN
686	!
687	!-- Particle height is given relative to topography
688	kp = kp + nzb_w_inner(jp,ip)
689	tmp_particle%z = tmp_particle%z + &
690	zw(nzb_w_inner(jp,ip))
691	IF ( kp > nzt ) THEN
692	pos_x = pos_x + pdx(i)
693	CYCLE xloop
694	ENDIF
695	ELSEIF ( .NOT. seed_follows_topography .AND. &
696	tmp_particle%z <= zw(nzb_w_inner(jp,ip)) ) THEN
697	pos_x = pos_x + pdx(i)
698	CYCLE xloop
699	ENDIF
700
701	local_count(kp,jp,ip) = local_count(kp,jp,ip) + 1
702
703	IF ( .NOT. first_stride ) THEN
704	IF ( ip < nxl .OR. jp < nys .OR. kp < nzb+1 ) THEN
705	write(6,*) 'xl ',ip,jp,kp,nxl,nys,nzb+1
706	ENDIF
707	IF ( ip > nxr .OR. jp > nyn .OR. kp > nzt ) THEN
708	write(6,*) 'xu ',ip,jp,kp,nxr,nyn,nzt
709	ENDIF
710	grid_particles(kp,jp,ip)%particles(local_count(kp,jp,ip)) = tmp_particle
711
712	ENDIF
713	ENDDO
714
715	ENDIF
716
717	pos_x = pos_x + pdx(i)
718
719	ENDDO xloop
720
721	ENDIF
722
723	pos_y = pos_y + pdy(i)
724
725	ENDDO
726
727	ENDIF
728
729	pos_z = pos_z + pdz(i)
730
731	ENDDO
732
733	ENDDO
734
735	IF ( first_stride ) THEN
736	DO ip = nxl, nxr
737	DO jp = nys, nyn
738	DO kp = nzb+1, nzt
739	IF ( phase == PHASE_INIT ) THEN
740	IF ( local_count(kp,jp,ip) > 0 ) THEN
741	alloc_size = MAX( INT( local_count(kp,jp,ip) * &
742	( 1.0_wp + alloc_factor / 100.0_wp ) ), &
743	min_nr_particle )
744	ELSE
745	alloc_size = min_nr_particle
746	ENDIF
747	ALLOCATE(grid_particles(kp,jp,ip)%particles(1:alloc_size))
748	DO n = 1, alloc_size
749	grid_particles(kp,jp,ip)%particles(n) = zero_particle
750	ENDDO
751	ELSEIF ( phase == PHASE_RELEASE ) THEN
752	IF ( local_count(kp,jp,ip) > 0 ) THEN
753	new_size = local_count(kp,jp,ip) + prt_count(kp,jp,ip)
754	alloc_size = MAX( INT( new_size * ( 1.0_wp + &
755	alloc_factor / 100.0_wp ) ), min_nr_particle )
756	IF( alloc_size > SIZE( grid_particles(kp,jp,ip)%particles) ) THEN
757	CALL realloc_particles_array(ip,jp,kp,alloc_size)
758	ENDIF
759	ENDIF
760	ENDIF
761	ENDDO
762	ENDDO
763	ENDDO
764	ENDIF
765
766	ENDDO
767
768
769
770	local_start = prt_count+1
771	prt_count = local_count
772
773	!
774	!-- Calculate particle IDs
775	DO ip = nxl, nxr
776	DO jp = nys, nyn
777	DO kp = nzb+1, nzt
778	number_of_particles = prt_count(kp,jp,ip)
779	IF ( number_of_particles <= 0 ) CYCLE
780	particles => grid_particles(kp,jp,ip)%particles(1:number_of_particles)
781
782	DO n = local_start(kp,jp,ip), number_of_particles !only new particles
783
784	particles(n)%id1 = 10000_iwp * grid_particles(kp,jp,ip)%id_counter + kp
785	particles(n)%id2 = 10000_iwp * jp + ip
786
787	grid_particles(kp,jp,ip)%id_counter = &
788	grid_particles(kp,jp,ip)%id_counter + 1
789
790	ENDDO
791
792	ENDDO
793	ENDDO
794	ENDDO
795
796	!
797	!-- Initialize aerosol background spectrum
798	IF ( curvature_solution_effects .AND. .NOT. monodisperse_aerosols ) THEN
799	CALL lpm_init_aerosols(local_start)
800	ENDIF
801
802	!
803	!-- Add random fluctuation to particle positions.
804	IF ( random_start_position ) THEN
805	DO ip = nxl, nxr
806	DO jp = nys, nyn
807	DO kp = nzb+1, nzt
808	number_of_particles = prt_count(kp,jp,ip)
809	IF ( number_of_particles <= 0 ) CYCLE
810	particles => grid_particles(kp,jp,ip)%particles(1:number_of_particles)
811	!
812	!-- Move only new particles. Moreover, limit random fluctuation
813	!-- in order to prevent that particles move more than one grid box,
814	!-- which would lead to problems concerning particle exchange
815	!-- between processors in case pdx/pdy are larger than dx/dy,
816	!-- respectively.
817	DO n = local_start(kp,jp,ip), number_of_particles
818	IF ( psl(particles(n)%group) /= psr(particles(n)%group) ) THEN
819	rand_contr = ( random_function( iran_part ) - 0.5_wp ) * &
820	pdx(particles(n)%group)
821	particles(n)%x = particles(n)%x + &
822	MERGE( rand_contr, SIGN( dx, rand_contr ), &
823	ABS( rand_contr ) < dx &
824	)
825	ENDIF
826	IF ( pss(particles(n)%group) /= psn(particles(n)%group) ) THEN
827	rand_contr = ( random_function( iran_part ) - 0.5_wp ) * &
828	pdy(particles(n)%group)
829	particles(n)%y = particles(n)%y + &
830	MERGE( rand_contr, SIGN( dy, rand_contr ), &
831	ABS( rand_contr ) < dy &
832	)
833	ENDIF
834	IF ( psb(particles(n)%group) /= pst(particles(n)%group) ) THEN
835	rand_contr = ( random_function( iran_part ) - 0.5_wp ) * &
836	pdz(particles(n)%group)
837	particles(n)%z = particles(n)%z + &
838	MERGE( rand_contr, SIGN( dz, rand_contr ), &
839	ABS( rand_contr ) < dz &
840	)
841	ENDIF
842	ENDDO
843	!
844	!-- Identify particles located outside the model domain and reflect
845	!-- or absorb them if necessary.
846	CALL lpm_boundary_conds( 'bottom/top' )
847	!
848	!-- Furthermore, remove particles located in topography. Note, as
849	!-- the particle speed is still zero at this point, wall
850	!-- reflection boundary conditions will not work in this case.
851	particles => &
852	grid_particles(kp,jp,ip)%particles(1:number_of_particles)
853	DO n = local_start(kp,jp,ip), number_of_particles
854	i = ( particles(n)%x + 0.5_wp * dx ) * ddx
855	j = ( particles(n)%y + 0.5_wp * dy ) * ddy
856	IF ( particles(n)%z <= zw(nzb_w_inner(j,i)) ) THEN
857	particles(n)%particle_mask = .FALSE.
858	deleted_particles = deleted_particles + 1
859	ENDIF
860	ENDDO
861	ENDDO
862	ENDDO
863	ENDDO
864	!
865	!-- Exchange particles between grid cells and processors
866	CALL lpm_move_particle
867	CALL lpm_exchange_horiz
868
869	ENDIF
870	!
871	!-- In case of random_start_position, delete particles identified by
872	!-- lpm_exchange_horiz and lpm_boundary_conds. Then sort particles into blocks,
873	!-- which is needed for a fast interpolation of the LES fields on the particle
874	!-- position.
875	CALL lpm_pack_all_arrays
876
877	!
878	!-- Determine maximum number of particles (i.e., all possible particles that
879	!-- have been allocated) and the current number of particles
880	DO ip = nxl, nxr
881	DO jp = nys, nyn
882	DO kp = nzb+1, nzt
883	maximum_number_of_particles = maximum_number_of_particles &
884	+ SIZE(grid_particles(kp,jp,ip)%particles)
885	number_of_particles = number_of_particles &
886	+ prt_count(kp,jp,ip)
887	ENDDO
888	ENDDO
889	ENDDO
890	!
891	!-- Calculate the number of particles of the total domain
892	#if defined( __parallel )
893	IF ( collective_wait ) CALL MPI_BARRIER( comm2d, ierr )
894	CALL MPI_ALLREDUCE( number_of_particles, total_number_of_particles, 1, &
895	MPI_INTEGER, MPI_SUM, comm2d, ierr )
896	#else
897	total_number_of_particles = number_of_particles
898	#endif
899
900	RETURN
901
902	END SUBROUTINE lpm_create_particle
903
904	SUBROUTINE lpm_init_aerosols(local_start)
905
906	USE arrays_3d, &
907	ONLY: hyp, pt, q
908
909	USE cloud_parameters, &
910	ONLY: l_d_rv, rho_l, r_v
911
912	USE constants, &
913	ONLY: pi
914
915	USE kinds
916
917	USE particle_attributes, &
918	ONLY: init_aerosol_probabilistic, molecular_weight_of_solute, &
919	molecular_weight_of_water, n1, n2, n3, rho_s, rm1, rm2, rm3, &
920	s1, s2, s3, vanthoff
921
922	IMPLICIT NONE
923
924	REAL(wp), DIMENSION(:), ALLOCATABLE :: cdf !< CDF of aerosol spectrum
925	REAL(wp), DIMENSION(:), ALLOCATABLE :: r_temp !< dry aerosol radius spectrum
926
927	REAL(wp) :: afactor !< curvature effects
928	REAL(wp) :: bfactor !< solute effects
929	REAL(wp) :: dr !< width of radius bin
930	REAL(wp) :: e_a !< vapor pressure
931	REAL(wp) :: e_s !< saturation vapor pressure
932	REAL(wp) :: n_init !< sum of all aerosol concentrations
933	REAL(wp) :: pdf !< PDF of aerosol spectrum
934	REAL(wp) :: rmin = 1.0e-8_wp !< minimum aerosol radius
935	REAL(wp) :: rmax = 1.0e-6_wp !< maximum aerosol radius
936	REAL(wp) :: rs_rand !< random number
937	REAL(wp) :: r_mid !< mean radius
938	REAL(wp) :: sigma !< surface tension
939	REAL(wp) :: t_int !< temperature
940	REAL(wp) :: weight_sum !< sum of all weighting factors
941
942	INTEGER(iwp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg), INTENT(IN) :: local_start !<
943
944	INTEGER(iwp) :: n !<
945	INTEGER(iwp) :: nn !<
946	INTEGER(iwp) :: no_bins = 999 !< number of bins
947	INTEGER(iwp) :: ip !<
948	INTEGER(iwp) :: jp !<
949	INTEGER(iwp) :: kp !<
950
951	LOGICAL :: new_pdf = .FALSE. !< check if aerosol PDF has to be recalculated
952
953	!
954	!-- Compute aerosol background distribution
955	IF ( init_aerosol_probabilistic ) THEN
956	ALLOCATE( cdf(0:no_bins), r_temp(0:no_bins) )
957	DO n = 0, no_bins
958	r_temp(n) = EXP( LOG(rmin) + ( LOG(rmax) - LOG(rmin ) ) / &
959	REAL(no_bins, KIND=wp) * REAL(n, KIND=wp) )
960
961	cdf(n) = 0.0_wp
962	n_init = n1 + n2 + n3
963	IF ( n1 > 0.0_wp ) THEN
964	cdf(n) = cdf(n) + n1 / n_init * ( 0.5_wp + 0.5_wp * &
965	ERF( LOG( r_temp(n) / rm1 ) / &
966	( SQRT(2.0_wp) * LOG(s1) ) &
967	) )
968	ENDIF
969	IF ( n2 > 0.0_wp ) THEN
970	cdf(n) = cdf(n) + n2 / n_init * ( 0.5_wp + 0.5_wp * &
971	ERF( LOG( r_temp(n) / rm2 ) / &
972	( SQRT(2.0_wp) * LOG(s2) ) &
973	) )
974	ENDIF
975	IF ( n3 > 0.0_wp ) THEN
976	cdf(n) = cdf(n) + n3 / n_init * ( 0.5_wp + 0.5_wp * &
977	ERF( LOG( r_temp(n) / rm3 ) / &
978	( SQRT(2.0_wp) * LOG(s3) ) &
979	) )
980	ENDIF
981
982	ENDDO
983	ENDIF
984
985	DO ip = nxl, nxr
986	DO jp = nys, nyn
987	DO kp = nzb+1, nzt
988
989	number_of_particles = prt_count(kp,jp,ip)
990	IF ( number_of_particles <= 0 ) CYCLE
991	particles => grid_particles(kp,jp,ip)%particles(1:number_of_particles)
992	!
993	!-- Initialize the aerosols with a predefined spectral distribution
994	!-- of the dry radius (logarithmically increasing bins) and a varying
995	!-- weighting factor
996	IF ( .NOT. init_aerosol_probabilistic ) THEN
997
998	new_pdf = .FALSE.
999	IF ( .NOT. ALLOCATED( r_temp ) ) THEN
1000	new_pdf = .TRUE.
1001	ELSE
1002	IF ( SIZE( r_temp ) .NE. &
1003	number_of_particles - local_start(kp,jp,ip) + 2 ) THEN
1004	new_pdf = .TRUE.
1005	DEALLOCATE( r_temp )
1006	ENDIF
1007	ENDIF
1008
1009	IF ( new_pdf ) THEN
1010
1011	no_bins = number_of_particles + 1 - local_start(kp,jp,ip)
1012	ALLOCATE( r_temp(0:no_bins) )
1013
1014	DO n = 0, no_bins
1015	r_temp(n) = EXP( LOG(rmin) + ( LOG(rmax) - LOG(rmin ) ) / &
1016	REAL(no_bins, KIND=wp) * &
1017	REAL(n, KIND=wp) )
1018	ENDDO
1019
1020	ENDIF
1021
1022	!
1023	!-- Calculate radius and concentration of each aerosol
1024	DO n = local_start(kp,jp,ip), number_of_particles
1025
1026	nn = n - local_start(kp,jp,ip)
1027
1028	r_mid = SQRT( r_temp(nn) * r_temp(nn+1) )
1029	dr = r_temp(nn+1) - r_temp(nn)
1030
1031	pdf = 0.0_wp
1032	n_init = n1 + n2 + n3
1033	IF ( n1 > 0.0_wp ) THEN
1034	pdf = pdf + n1 / n_init * ( 1.0_wp / ( r_mid * LOG(s1) * &
1035	SQRT( 2.0_wp * pi ) &
1036	) * &
1037	EXP( -( LOG( r_mid / rm1 ) )**2 / &
1038	( 2.0_wp * LOG(s1)**2 ) &
1039	) &
1040	)
1041	ENDIF
1042	IF ( n2 > 0.0_wp ) THEN
1043	pdf = pdf + n2 / n_init * ( 1.0_wp / ( r_mid * LOG(s2) * &
1044	SQRT( 2.0_wp * pi ) &
1045	) * &
1046	EXP( -( LOG( r_mid / rm2 ) )**2 / &
1047	( 2.0_wp * LOG(s2)**2 ) &
1048	) &
1049	)
1050	ENDIF
1051	IF ( n3 > 0.0_wp ) THEN
1052	pdf = pdf + n3 / n_init * ( 1.0_wp / ( r_mid * LOG(s3) * &
1053	SQRT( 2.0_wp * pi ) &
1054	) * &
1055	EXP( -( LOG( r_mid / rm3 ) )**2 / &
1056	( 2.0_wp * LOG(s3)**2 ) &
1057	) &
1058	)
1059	ENDIF
1060
1061	particles(n)%rvar2 = r_mid
1062	particles(n)%weight_factor = pdf * dr
1063
1064	END DO
1065	!
1066	!-- Adjust weighting factors to initialize the same number of aerosols
1067	!-- in every grid box
1068	weight_sum = SUM(particles(local_start(kp,jp,ip):number_of_particles)%weight_factor)
1069
1070	particles(local_start(kp,jp,ip):number_of_particles)%weight_factor = &
1071	particles(local_start(kp,jp,ip):number_of_particles)%weight_factor / &
1072	weight_sum * initial_weighting_factor * ( no_bins + 1 )
1073
1074	ENDIF
1075	!
1076	!-- Initialize the aerosols with a predefined weighting factor but
1077	!-- a randomly choosen dry radius
1078	IF ( init_aerosol_probabilistic ) THEN
1079
1080	DO n = local_start(kp,jp,ip), number_of_particles !only new particles
1081
1082	rs_rand = -1.0_wp
1083	DO WHILE ( rs_rand .LT. cdf(0) .OR. rs_rand .GE. cdf(no_bins) )
1084	rs_rand = random_function( iran_part )
1085	ENDDO
1086	!
1087	!-- Determine aerosol dry radius by a random number generator
1088	DO nn = 0, no_bins-1
1089	IF ( cdf(nn) .LE. rs_rand .AND. cdf(nn+1) .GT. rs_rand ) THEN
1090	particles(n)%rvar2 = r_temp(nn) + ( r_temp(nn+1) - r_temp(nn) ) / &
1091	( cdf(nn+1) - cdf(nn) ) * ( rs_rand - cdf(nn) )
1092	EXIT
1093	ENDIF
1094	ENDDO
1095
1096	ENDDO
1097
1098	ENDIF
1099
1100	!
1101	!-- Set particle radius to equilibrium radius based on the environmental
1102	!-- supersaturation (Khvorostyanov and Curry, 2007, JGR). This avoids
1103	!-- the sometimes lengthy growth toward their equilibrium radius within
1104	!-- the simulation.
1105	t_int = pt(kp,jp,ip) * ( hyp(kp) / 100000.0_wp )**0.286_wp
1106
1107	e_s = 611.0_wp * EXP( l_d_rv * ( 3.6609E-3_wp - 1.0_wp / t_int ) )
1108	e_a = q(kp,jp,ip) * hyp(kp) / ( 0.378_wp * q(kp,jp,ip) + 0.622_wp )
1109
1110	sigma = 0.0761_wp - 0.000155_wp * ( t_int - 273.15_wp )
1111	afactor = 2.0_wp * sigma / ( rho_l * r_v * t_int )
1112
1113	bfactor = vanthoff * molecular_weight_of_water * &
1114	rho_s / ( molecular_weight_of_solute * rho_l )
1115	!
1116	!-- The formula is only valid for subsaturated environments. For
1117	!-- supersaturations higher than -5 %, the supersaturation is set to -5%.
1118	IF ( e_a / e_s >= 0.95_wp ) e_a = 0.95_wp * e_s
1119
1120	DO n = local_start(kp,jp,ip), number_of_particles !only new particles
1121	!
1122	!-- For details on this equation, see Eq. (14) of Khvorostyanov and
1123	!-- Curry (2007, JGR)
1124	particles(n)%radius = bfactor*0.3333333_wp &
1125	particles(n)%rvar2 / ( 1.0_wp - e_a / e_s )**0.3333333_wp / &
1126	( 1.0_wp + ( afactor / ( 3.0_wp * bfactor*0.3333333_wp &
1127	particles(n)%rvar2 ) ) / &
1128	( 1.0_wp - e_a / e_s )**0.6666666_wp &
1129	)
1130
1131	ENDDO
1132
1133	ENDDO
1134	ENDDO
1135	ENDDO
1136	!
1137	!-- Deallocate used arrays
1138	IF ( ALLOCATED(r_temp) ) DEALLOCATE( r_temp )
1139	IF ( ALLOCATED(cdf) ) DEALLOCATE( cdf )
1140
1141	END SUBROUTINE lpm_init_aerosols
1142
1143	END MODULE lpm_init_mod

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