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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 2123 2017-01-18 12:34:59Z knoop $
27	!
28	! 2122 2017-01-18 12:22:54Z hoffmann
29	! Improved initialization of equilibrium aerosol radii
30	! Calculation of particle ID
31	!
32	! 2000 2016-08-20 18:09:15Z knoop
33	! Forced header and separation lines into 80 columns
34	!
35	! 2016-06-09 16:25:25Z suehring
36	! Bugfix in determining initial particle height and grid index in case of
37	! seed_follows_topography.
38	! Bugfix concerning random positions, ensure that particles do not move more
39	! than one grid length.
40	! Bugfix logarithmic interpolation.
41	! Initial setting of sgs_wf_part.
42	!
43	! 1890 2016-04-22 08:52:11Z hoffmann
44	! Initialization of aerosol equilibrium radius not possible in supersaturated
45	! environments. Therefore, a maximum supersaturation of -1 % is assumed during
46	! initialization.
47	!
48	! 1873 2016-04-18 14:50:06Z maronga
49	! Module renamed (removed _mod
50	!
51	! 1871 2016-04-15 11:46:09Z hoffmann
52	! Initialization of aerosols added.
53	!
54	! 1850 2016-04-08 13:29:27Z maronga
55	! Module renamed
56	!
57	! 1831 2016-04-07 13:15:51Z hoffmann
58	! curvature_solution_effects moved to particle_attributes
59	!
60	! 1822 2016-04-07 07:49:42Z hoffmann
61	! Unused variables removed.
62	!
63	! 1783 2016-03-06 18:36:17Z raasch
64	! netcdf module added
65	!
66	! 1725 2015-11-17 13:01:51Z hoffmann
67	! Bugfix: Processor-dependent seed for random function is generated before it is
68	! used.
69	!
70	! 1691 2015-10-26 16:17:44Z maronga
71	! Renamed prandtl_layer to constant_flux_layer.
72	!
73	! 1685 2015-10-08 07:32:13Z raasch
74	! bugfix concerning vertical index offset in case of ocean
75	!
76	! 1682 2015-10-07 23:56:08Z knoop
77	! Code annotations made doxygen readable
78	!
79	! 1575 2015-03-27 09:56:27Z raasch
80	! initial vertical particle position is allowed to follow the topography
81	!
82	! 1359 2014-04-11 17:15:14Z hoffmann
83	! New particle structure integrated.
84	! Kind definition added to all floating point numbers.
85	! lpm_init changed form a subroutine to a module.
86	!
87	! 1327 2014-03-21 11:00:16Z raasch
88	! -netcdf_output
89	!
90	! 1322 2014-03-20 16:38:49Z raasch
91	! REAL functions provided with KIND-attribute
92	!
93	! 1320 2014-03-20 08:40:49Z raasch
94	! ONLY-attribute added to USE-statements,
95	! kind-parameters added to all INTEGER and REAL declaration statements,
96	! kinds are defined in new module kinds,
97	! revision history before 2012 removed,
98	! comment fields (!:) to be used for variable explanations added to
99	! all variable declaration statements
100	! bugfix: #if defined( __parallel ) added
101	!
102	! 1314 2014-03-14 18:25:17Z suehring
103	! Vertical logarithmic interpolation of horizontal particle speed for particles
104	! between roughness height and first vertical grid level.
105	!
106	! 1092 2013-02-02 11:24:22Z raasch
107	! unused variables removed
108	!
109	! 1036 2012-10-22 13:43:42Z raasch
110	! code put under GPL (PALM 3.9)
111	!
112	! 849 2012-03-15 10:35:09Z raasch
113	! routine renamed: init_particles -> lpm_init
114	! de_dx, de_dy, de_dz are allocated here (instead of automatic arrays in
115	! advec_particles),
116	! sort_particles renamed lpm_sort_arrays, user_init_particles renamed lpm_init
117	!
118	! 828 2012-02-21 12:00:36Z raasch
119	! call of init_kernels, particle feature color renamed class
120	!
121	! 824 2012-02-17 09:09:57Z raasch
122	! particle attributes speed_x\|y\|z_sgs renamed rvar1\|2\|3,
123	! array particles implemented as pointer
124	!
125	! 667 2010-12-23 12:06:00Z suehring/gryschka
126	! nxl-1, nxr+1, nys-1, nyn+1 replaced by nxlg, nxrg, nysg, nyng for allocation
127	! of arrays.
128	!
129	! Revision 1.1 1999/11/25 16:22:38 raasch
130	! Initial revision
131	!
132	!
133	! Description:
134	! ------------
135	!> This routine initializes a set of particles and their attributes (position,
136	!> radius, ..) which are used by the Lagrangian particle model (see lpm).
137	!------------------------------------------------------------------------------!
138	MODULE lpm_init_mod
139
140
141	USE arrays_3d, &
142	ONLY: de_dx, de_dy, de_dz, zu, zw, z0
143
144	USE control_parameters, &
145	ONLY: cloud_droplets, constant_flux_layer, current_timestep_number, &
146	dz, initializing_actions, message_string, ocean, simulated_time
147
148	USE grid_variables, &
149	ONLY: ddx, dx, ddy, dy
150
151	USE indices, &
152	ONLY: nx, nxl, nxlg, nxrg, nxr, ny, nyn, nys, nyng, nysg, nz, nzb, &
153	nzb_w_inner, nzt
154
155	USE kinds
156
157	USE lpm_collision_kernels_mod, &
158	ONLY: init_kernels
159
160	USE netcdf_interface, &
161	ONLY: netcdf_data_format
162
163	USE particle_attributes, &
164	ONLY: alloc_factor, bc_par_b, bc_par_lr, bc_par_ns, bc_par_t, &
165	block_offset, block_offset_def, collision_kernel, &
166	curvature_solution_effects, &
167	density_ratio, grid_particles, &
168	initial_weighting_factor, ibc_par_b, ibc_par_lr, ibc_par_ns, &
169	ibc_par_t, iran_part, log_z_z0, &
170	max_number_of_particle_groups, maximum_number_of_particles, &
171	min_nr_particle, mpi_particle_type, &
172	number_of_particles, &
173	number_of_particle_groups, number_of_sublayers, &
174	offset_ocean_nzt, offset_ocean_nzt_m1, &
175	particles, particle_advection_start, particle_groups, &
176	particle_groups_type, particles_per_point, &
177	particle_type, pdx, pdy, pdz, &
178	prt_count, psb, psl, psn, psr, pss, pst, &
179	radius, random_start_position, read_particles_from_restartfile,&
180	seed_follows_topography, sgs_wf_part, sort_count, &
181	total_number_of_particles, &
182	use_sgs_for_particles, &
183	write_particle_statistics, uniform_particles, zero_particle, &
184	z0_av_global
185
186	USE pegrid
187
188	USE random_function_mod, &
189	ONLY: random_function
190
191	IMPLICIT NONE
192
193	PRIVATE
194
195	INTEGER(iwp), PARAMETER :: PHASE_INIT = 1 !<
196	INTEGER(iwp), PARAMETER, PUBLIC :: PHASE_RELEASE = 2 !<
197
198	INTERFACE lpm_init
199	MODULE PROCEDURE lpm_init
200	END INTERFACE lpm_init
201
202	INTERFACE lpm_create_particle
203	MODULE PROCEDURE lpm_create_particle
204	END INTERFACE lpm_create_particle
205
206	PUBLIC lpm_init, lpm_create_particle
207
208	CONTAINS
209
210	!------------------------------------------------------------------------------!
211	! Description:
212	! ------------
213	!> @todo Missing subroutine description.
214	!------------------------------------------------------------------------------!
215	SUBROUTINE lpm_init
216
217	USE lpm_collision_kernels_mod, &
218	ONLY: init_kernels
219
220	IMPLICIT NONE
221
222	INTEGER(iwp) :: i !<
223	INTEGER(iwp) :: j !<
224	INTEGER(iwp) :: k !<
225
226	#if defined( __parallel )
227	INTEGER(iwp), DIMENSION(3) :: blocklengths !<
228	INTEGER(iwp), DIMENSION(3) :: displacements !<
229	INTEGER(iwp), DIMENSION(3) :: types !<
230	#endif
231
232	REAL(wp) :: height_int !<
233	REAL(wp) :: height_p !<
234	REAL(wp) :: z_p !<
235	REAL(wp) :: z0_av_local !<
236
237	#if defined( __parallel )
238	!
239	!-- Define MPI derived datatype for FORTRAN datatype particle_type (see module
240	!-- particle_attributes). Integer length is 4 byte, Real is 8 byte
241	blocklengths(1) = 19; blocklengths(2) = 6; blocklengths(3) = 1
242	displacements(1) = 0; displacements(2) = 152; displacements(3) = 176
243
244	types(1) = MPI_REAL
245	types(2) = MPI_INTEGER
246	types(3) = MPI_UB
247	CALL MPI_TYPE_STRUCT( 3, blocklengths, displacements, types, &
248	mpi_particle_type, ierr )
249	CALL MPI_TYPE_COMMIT( mpi_particle_type, ierr )
250	#endif
251
252	!
253	!-- In case of oceans runs, the vertical index calculations need an offset,
254	!-- because otherwise the k indices will become negative
255	IF ( ocean ) THEN
256	offset_ocean_nzt = nzt
257	offset_ocean_nzt_m1 = nzt - 1
258	ENDIF
259
260	!
261	!-- Define block offsets for dividing a gridcell in 8 sub cells
262
263	block_offset(0) = block_offset_def (-1,-1,-1)
264	block_offset(1) = block_offset_def (-1,-1, 0)
265	block_offset(2) = block_offset_def (-1, 0,-1)
266	block_offset(3) = block_offset_def (-1, 0, 0)
267	block_offset(4) = block_offset_def ( 0,-1,-1)
268	block_offset(5) = block_offset_def ( 0,-1, 0)
269	block_offset(6) = block_offset_def ( 0, 0,-1)
270	block_offset(7) = block_offset_def ( 0, 0, 0)
271	!
272	!-- Check the number of particle groups.
273	IF ( number_of_particle_groups > max_number_of_particle_groups ) THEN
274	WRITE( message_string, * ) 'max_number_of_particle_groups =', &
275	max_number_of_particle_groups , &
276	'&number_of_particle_groups reset to ', &
277	max_number_of_particle_groups
278	CALL message( 'lpm_init', 'PA0213', 0, 1, 0, 6, 0 )
279	number_of_particle_groups = max_number_of_particle_groups
280	ENDIF
281
282	!
283	!-- Set default start positions, if necessary
284	IF ( psl(1) == 9999999.9_wp ) psl(1) = -0.5_wp * dx
285	IF ( psr(1) == 9999999.9_wp ) psr(1) = ( nx + 0.5_wp ) * dx
286	IF ( pss(1) == 9999999.9_wp ) pss(1) = -0.5_wp * dy
287	IF ( psn(1) == 9999999.9_wp ) psn(1) = ( ny + 0.5_wp ) * dy
288	IF ( psb(1) == 9999999.9_wp ) psb(1) = zu(nz/2)
289	IF ( pst(1) == 9999999.9_wp ) pst(1) = psb(1)
290
291	IF ( pdx(1) == 9999999.9_wp .OR. pdx(1) == 0.0_wp ) pdx(1) = dx
292	IF ( pdy(1) == 9999999.9_wp .OR. pdy(1) == 0.0_wp ) pdy(1) = dy
293	IF ( pdz(1) == 9999999.9_wp .OR. pdz(1) == 0.0_wp ) pdz(1) = zu(2) - zu(1)
294
295	DO j = 2, number_of_particle_groups
296	IF ( psl(j) == 9999999.9_wp ) psl(j) = psl(j-1)
297	IF ( psr(j) == 9999999.9_wp ) psr(j) = psr(j-1)
298	IF ( pss(j) == 9999999.9_wp ) pss(j) = pss(j-1)
299	IF ( psn(j) == 9999999.9_wp ) psn(j) = psn(j-1)
300	IF ( psb(j) == 9999999.9_wp ) psb(j) = psb(j-1)
301	IF ( pst(j) == 9999999.9_wp ) pst(j) = pst(j-1)
302	IF ( pdx(j) == 9999999.9_wp .OR. pdx(j) == 0.0_wp ) pdx(j) = pdx(j-1)
303	IF ( pdy(j) == 9999999.9_wp .OR. pdy(j) == 0.0_wp ) pdy(j) = pdy(j-1)
304	IF ( pdz(j) == 9999999.9_wp .OR. pdz(j) == 0.0_wp ) pdz(j) = pdz(j-1)
305	ENDDO
306
307	!
308	!-- Allocate arrays required for calculating particle SGS velocities.
309	!-- Initialize prefactor required for stoachastic Weil equation.
310	IF ( use_sgs_for_particles .AND. .NOT. cloud_droplets ) THEN
311	ALLOCATE( de_dx(nzb:nzt+1,nysg:nyng,nxlg:nxrg), &
312	de_dy(nzb:nzt+1,nysg:nyng,nxlg:nxrg), &
313	de_dz(nzb:nzt+1,nysg:nyng,nxlg:nxrg) )
314
315	sgs_wf_part = 1.0_wp / 3.0_wp
316	ENDIF
317
318	!
319	!-- Allocate array required for logarithmic vertical interpolation of
320	!-- horizontal particle velocities between the surface and the first vertical
321	!-- grid level. In order to avoid repeated CPU cost-intensive CALLS of
322	!-- intrinsic FORTRAN procedure LOG(z/z0), LOG(z/z0) is precalculated for
323	!-- several heights. Splitting into 20 sublayers turned out to be sufficient.
324	!-- To obtain exact height levels of particles, linear interpolation is applied
325	!-- (see lpm_advec.f90).
326	IF ( constant_flux_layer ) THEN
327
328	ALLOCATE ( log_z_z0(0:number_of_sublayers) )
329	z_p = zu(nzb+1) - zw(nzb)
330
331	!
332	!-- Calculate horizontal mean value of z0 used for logartihmic
333	!-- interpolation. Note: this is not exact for heterogeneous z0.
334	!-- However, sensitivity studies showed that the effect is
335	!-- negligible.
336	z0_av_local = SUM( z0(nys:nyn,nxl:nxr) )
337	z0_av_global = 0.0_wp
338
339	#if defined( __parallel )
340	CALL MPI_ALLREDUCE(z0_av_local, z0_av_global, 1, MPI_REAL, MPI_SUM, &
341	comm2d, ierr )
342	#else
343	z0_av_global = z0_av_local
344	#endif
345
346	z0_av_global = z0_av_global / ( ( ny + 1 ) * ( nx + 1 ) )
347	!
348	!-- Horizontal wind speed is zero below and at z0
349	log_z_z0(0) = 0.0_wp
350	!
351	!-- Calculate vertical depth of the sublayers
352	height_int = ( z_p - z0_av_global ) / REAL( number_of_sublayers, KIND=wp )
353	!
354	!-- Precalculate LOG(z/z0)
355	height_p = z0_av_global
356	DO k = 1, number_of_sublayers
357
358	height_p = height_p + height_int
359	log_z_z0(k) = LOG( height_p / z0_av_global )
360
361	ENDDO
362
363	ENDIF
364
365	!
366	!-- Check boundary condition and set internal variables
367	SELECT CASE ( bc_par_b )
368
369	CASE ( 'absorb' )
370	ibc_par_b = 1
371
372	CASE ( 'reflect' )
373	ibc_par_b = 2
374
375	CASE DEFAULT
376	WRITE( message_string, * ) 'unknown boundary condition ', &
377	'bc_par_b = "', TRIM( bc_par_b ), '"'
378	CALL message( 'lpm_init', 'PA0217', 1, 2, 0, 6, 0 )
379
380	END SELECT
381	SELECT CASE ( bc_par_t )
382
383	CASE ( 'absorb' )
384	ibc_par_t = 1
385
386	CASE ( 'reflect' )
387	ibc_par_t = 2
388
389	CASE DEFAULT
390	WRITE( message_string, * ) 'unknown boundary condition ', &
391	'bc_par_t = "', TRIM( bc_par_t ), '"'
392	CALL message( 'lpm_init', 'PA0218', 1, 2, 0, 6, 0 )
393
394	END SELECT
395	SELECT CASE ( bc_par_lr )
396
397	CASE ( 'cyclic' )
398	ibc_par_lr = 0
399
400	CASE ( 'absorb' )
401	ibc_par_lr = 1
402
403	CASE ( 'reflect' )
404	ibc_par_lr = 2
405
406	CASE DEFAULT
407	WRITE( message_string, * ) 'unknown boundary condition ', &
408	'bc_par_lr = "', TRIM( bc_par_lr ), '"'
409	CALL message( 'lpm_init', 'PA0219', 1, 2, 0, 6, 0 )
410
411	END SELECT
412	SELECT CASE ( bc_par_ns )
413
414	CASE ( 'cyclic' )
415	ibc_par_ns = 0
416
417	CASE ( 'absorb' )
418	ibc_par_ns = 1
419
420	CASE ( 'reflect' )
421	ibc_par_ns = 2
422
423	CASE DEFAULT
424	WRITE( message_string, * ) 'unknown boundary condition ', &
425	'bc_par_ns = "', TRIM( bc_par_ns ), '"'
426	CALL message( 'lpm_init', 'PA0220', 1, 2, 0, 6, 0 )
427
428	END SELECT
429
430	!
431	!-- Initialize collision kernels
432	IF ( collision_kernel /= 'none' ) CALL init_kernels
433
434	!
435	!-- For the first model run of a possible job chain initialize the
436	!-- particles, otherwise read the particle data from restart file.
437	IF ( TRIM( initializing_actions ) == 'read_restart_data' &
438	.AND. read_particles_from_restartfile ) THEN
439
440	CALL lpm_read_restart_file
441
442	ELSE
443
444	!
445	!-- Allocate particle arrays and set attributes of the initial set of
446	!-- particles, which can be also periodically released at later times.
447	ALLOCATE( prt_count(nzb:nzt+1,nysg:nyng,nxlg:nxrg), &
448	grid_particles(nzb+1:nzt,nys:nyn,nxl:nxr) )
449
450	maximum_number_of_particles = 0
451	number_of_particles = 0
452
453	sort_count = 0
454	prt_count = 0
455
456	!
457	!-- initialize counter for particle IDs
458	grid_particles%id_counter = 0
459
460	!
461	!-- Initialize all particles with dummy values (otherwise errors may
462	!-- occur within restart runs). The reason for this is still not clear
463	!-- and may be presumably caused by errors in the respective user-interface.
464	zero_particle = particle_type( 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
465	0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
466	0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
467	0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp, &
468	0, 0, 0, 0, .FALSE., -1 )
469
470	particle_groups = particle_groups_type( 0.0_wp, 0.0_wp, 0.0_wp, 0.0_wp )
471
472	!
473	!-- Set values for the density ratio and radius for all particle
474	!-- groups, if necessary
475	IF ( density_ratio(1) == 9999999.9_wp ) density_ratio(1) = 0.0_wp
476	IF ( radius(1) == 9999999.9_wp ) radius(1) = 0.0_wp
477	DO i = 2, number_of_particle_groups
478	IF ( density_ratio(i) == 9999999.9_wp ) THEN
479	density_ratio(i) = density_ratio(i-1)
480	ENDIF
481	IF ( radius(i) == 9999999.9_wp ) radius(i) = radius(i-1)
482	ENDDO
483
484	DO i = 1, number_of_particle_groups
485	IF ( density_ratio(i) /= 0.0_wp .AND. radius(i) == 0 ) THEN
486	WRITE( message_string, * ) 'particle group #', i, 'has a', &
487	'density ratio /= 0 but radius = 0'
488	CALL message( 'lpm_init', 'PA0215', 1, 2, 0, 6, 0 )
489	ENDIF
490	particle_groups(i)%density_ratio = density_ratio(i)
491	particle_groups(i)%radius = radius(i)
492	ENDDO
493
494	!
495	!-- Set a seed value for the random number generator to be exclusively
496	!-- used for the particle code. The generated random numbers should be
497	!-- different on the different PEs.
498	iran_part = iran_part + myid
499
500	CALL lpm_create_particle (PHASE_INIT)
501	!
502	!-- User modification of initial particles
503	CALL user_lpm_init
504
505	!
506	!-- Open file for statistical informations about particle conditions
507	IF ( write_particle_statistics ) THEN
508	CALL check_open( 80 )
509	WRITE ( 80, 8000 ) current_timestep_number, simulated_time, &
510	number_of_particles, &
511	maximum_number_of_particles
512	CALL close_file( 80 )
513	ENDIF
514
515	ENDIF
516
517	!
518	!-- To avoid programm abort, assign particles array to the local version of
519	!-- first grid cell
520	number_of_particles = prt_count(nzb+1,nys,nxl)
521	particles => grid_particles(nzb+1,nys,nxl)%particles(1:number_of_particles)
522	!
523	!-- Formats
524	8000 FORMAT (I6,1X,F7.2,4X,I10,71X,I10)
525
526	END SUBROUTINE lpm_init
527
528	!------------------------------------------------------------------------------!
529	! Description:
530	! ------------
531	!> @todo Missing subroutine description.
532	!------------------------------------------------------------------------------!
533	SUBROUTINE lpm_create_particle (phase)
534
535	USE lpm_exchange_horiz_mod, &
536	ONLY: lpm_exchange_horiz, lpm_move_particle, realloc_particles_array
537
538	USE lpm_pack_arrays_mod, &
539	ONLY: lpm_pack_all_arrays
540
541	USE particle_attributes, &
542	ONLY: deleted_particles, monodisperse_aerosols
543
544	IMPLICIT NONE
545
546	INTEGER(iwp) :: alloc_size !< relative increase of allocated memory for particles
547	INTEGER(iwp) :: i !< loop variable ( particle groups )
548	INTEGER(iwp) :: ip !< index variable along x
549	INTEGER(iwp) :: j !< loop variable ( particles per point )
550	INTEGER(iwp) :: jp !< index variable along y
551	INTEGER(iwp) :: kp !< index variable along z
552	INTEGER(iwp) :: loop_stride !< loop variable for initialization
553	INTEGER(iwp) :: n !< loop variable ( number of particles )
554	INTEGER(iwp) :: new_size !< new size of allocated memory for particles
555
556	INTEGER(iwp), INTENT(IN) :: phase !< mode of inititialization
557
558	INTEGER(iwp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: local_count !< start address of new particle
559	INTEGER(iwp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg) :: local_start !< start address of new particle
560
561	LOGICAL :: first_stride !< flag for initialization
562
563	REAL(wp) :: pos_x !< increment for particle position in x
564	REAL(wp) :: pos_y !< increment for particle position in y
565	REAL(wp) :: pos_z !< increment for particle position in z
566	REAL(wp) :: rand_contr !< dummy argument for random position
567
568	TYPE(particle_type),TARGET :: tmp_particle !< temporary particle used for initialization
569
570	!
571	!-- Calculate particle positions and store particle attributes, if
572	!-- particle is situated on this PE
573	DO loop_stride = 1, 2
574	first_stride = (loop_stride == 1)
575	IF ( first_stride ) THEN
576	local_count = 0 ! count number of particles
577	ELSE
578	local_count = prt_count ! Start address of new particles
579	ENDIF
580
581	n = 0
582	DO i = 1, number_of_particle_groups
583
584	pos_z = psb(i)
585
586	DO WHILE ( pos_z <= pst(i) )
587
588	pos_y = pss(i)
589
590	DO WHILE ( pos_y <= psn(i) )
591
592	IF ( pos_y >= ( nys - 0.5_wp ) * dy .AND. &
593	pos_y < ( nyn + 0.5_wp ) * dy ) THEN
594
595	pos_x = psl(i)
596
597	xloop: DO WHILE ( pos_x <= psr(i) )
598
599	IF ( pos_x >= ( nxl - 0.5_wp ) * dx .AND. &
600	pos_x < ( nxr + 0.5_wp ) * dx ) THEN
601
602	DO j = 1, particles_per_point
603
604	n = n + 1
605	tmp_particle%x = pos_x
606	tmp_particle%y = pos_y
607	tmp_particle%z = pos_z
608	tmp_particle%age = 0.0_wp
609	tmp_particle%age_m = 0.0_wp
610	tmp_particle%dt_sum = 0.0_wp
611	tmp_particle%user = 0.0_wp !unused, free for the user
612	tmp_particle%e_m = 0.0_wp
613	IF ( curvature_solution_effects ) THEN
614	!
615	!-- Initial values (internal timesteps, derivative)
616	!-- for Rosenbrock method
617	tmp_particle%rvar1 = 1.0E-6_wp !last Rosenbrock timestep
618	tmp_particle%rvar2 = 0.1E-6_wp !dry aerosol radius
619	tmp_particle%rvar3 = -9999999.9_wp !unused in this configuration
620	ELSE
621	!
622	!-- Initial values for SGS velocities
623	tmp_particle%rvar1 = 0.0_wp
624	tmp_particle%rvar2 = 0.0_wp
625	tmp_particle%rvar3 = 0.0_wp
626	ENDIF
627	tmp_particle%speed_x = 0.0_wp
628	tmp_particle%speed_y = 0.0_wp
629	tmp_particle%speed_z = 0.0_wp
630	tmp_particle%origin_x = pos_x
631	tmp_particle%origin_y = pos_y
632	tmp_particle%origin_z = pos_z
633	tmp_particle%radius = particle_groups(i)%radius
634	tmp_particle%weight_factor = initial_weighting_factor
635	tmp_particle%class = 1
636	tmp_particle%group = i
637	tmp_particle%id1 = 0
638	tmp_particle%id2 = 0
639	tmp_particle%particle_mask = .TRUE.
640	tmp_particle%block_nr = -1
641	!
642	!-- Determine the grid indices of the particle position
643	ip = ( tmp_particle%x + 0.5_wp * dx ) * ddx
644	jp = ( tmp_particle%y + 0.5_wp * dy ) * ddy
645	kp = tmp_particle%z / dz + 1 + offset_ocean_nzt
646
647	IF ( seed_follows_topography ) THEN
648	!
649	!-- Particle height is given relative to topography
650	kp = kp + nzb_w_inner(jp,ip)
651	tmp_particle%z = tmp_particle%z + &
652	zw(nzb_w_inner(jp,ip))
653	IF ( kp > nzt ) THEN
654	pos_x = pos_x + pdx(i)
655	CYCLE xloop
656	ENDIF
657	ELSEIF ( .NOT. seed_follows_topography .AND. &
658	tmp_particle%z <= zw(nzb_w_inner(jp,ip)) ) THEN
659	pos_x = pos_x + pdx(i)
660	CYCLE xloop
661	ENDIF
662
663	local_count(kp,jp,ip) = local_count(kp,jp,ip) + 1
664	IF ( .NOT. first_stride ) THEN
665	IF ( ip < nxl .OR. jp < nys .OR. kp < nzb+1 ) THEN
666	write(6,*) 'xl ',ip,jp,kp,nxl,nys,nzb+1
667	ENDIF
668	IF ( ip > nxr .OR. jp > nyn .OR. kp > nzt ) THEN
669	write(6,*) 'xu ',ip,jp,kp,nxr,nyn,nzt
670	ENDIF
671	grid_particles(kp,jp,ip)%particles(local_count(kp,jp,ip)) = tmp_particle
672
673	ENDIF
674	ENDDO
675
676	ENDIF
677
678	pos_x = pos_x + pdx(i)
679
680	ENDDO xloop
681
682	ENDIF
683
684	pos_y = pos_y + pdy(i)
685
686	ENDDO
687
688	pos_z = pos_z + pdz(i)
689
690	ENDDO
691
692	ENDDO
693
694	IF ( first_stride ) THEN
695	DO ip = nxl, nxr
696	DO jp = nys, nyn
697	DO kp = nzb+1, nzt
698	IF ( phase == PHASE_INIT ) THEN
699	IF ( local_count(kp,jp,ip) > 0 ) THEN
700	alloc_size = MAX( INT( local_count(kp,jp,ip) * &
701	( 1.0_wp + alloc_factor / 100.0_wp ) ), &
702	min_nr_particle )
703	ELSE
704	alloc_size = min_nr_particle
705	ENDIF
706	ALLOCATE(grid_particles(kp,jp,ip)%particles(1:alloc_size))
707	DO n = 1, alloc_size
708	grid_particles(kp,jp,ip)%particles(n) = zero_particle
709	ENDDO
710	ELSEIF ( phase == PHASE_RELEASE ) THEN
711	IF ( local_count(kp,jp,ip) > 0 ) THEN
712	new_size = local_count(kp,jp,ip) + prt_count(kp,jp,ip)
713	alloc_size = MAX( INT( new_size * ( 1.0_wp + &
714	alloc_factor / 100.0_wp ) ), min_nr_particle )
715	IF( alloc_size > SIZE( grid_particles(kp,jp,ip)%particles) ) THEN
716	CALL realloc_particles_array(ip,jp,kp,alloc_size)
717	ENDIF
718	ENDIF
719	ENDIF
720
721	ENDDO
722	ENDDO
723	ENDDO
724	ENDIF
725
726	ENDDO
727
728	local_start = prt_count+1
729	prt_count = local_count
730
731	!
732	!-- Calculate particle IDs
733	DO ip = nxl, nxr
734	DO jp = nys, nyn
735	DO kp = nzb+1, nzt
736	number_of_particles = prt_count(kp,jp,ip)
737	IF ( number_of_particles <= 0 ) CYCLE
738	particles => grid_particles(kp,jp,ip)%particles(1:number_of_particles)
739
740	DO n = local_start(kp,jp,ip), number_of_particles !only new particles
741
742	particles(n)%id1 = 10000 * grid_particles(kp,jp,ip)%id_counter + kp
743	particles(n)%id2 = 10000 * jp + ip
744
745	grid_particles(kp,jp,ip)%id_counter = &
746	grid_particles(kp,jp,ip)%id_counter + 1
747
748	ENDDO
749
750	ENDDO
751	ENDDO
752	ENDDO
753
754	!
755	!-- Initialize aerosol background spectrum
756	IF ( curvature_solution_effects .AND. .NOT. monodisperse_aerosols ) THEN
757	CALL lpm_init_aerosols(local_start)
758	ENDIF
759
760	!
761	!-- Add random fluctuation to particle positions.
762	IF ( random_start_position ) THEN
763	DO ip = nxl, nxr
764	DO jp = nys, nyn
765	DO kp = nzb+1, nzt
766	number_of_particles = prt_count(kp,jp,ip)
767	IF ( number_of_particles <= 0 ) CYCLE
768	particles => grid_particles(kp,jp,ip)%particles(1:number_of_particles)
769	!
770	!-- Move only new particles. Moreover, limit random fluctuation
771	!-- in order to prevent that particles move more than one grid box,
772	!-- which would lead to problems concerning particle exchange
773	!-- between processors in case pdx/pdy are larger than dx/dy,
774	!-- respectively.
775	DO n = local_start(kp,jp,ip), number_of_particles
776	IF ( psl(particles(n)%group) /= psr(particles(n)%group) ) THEN
777	rand_contr = ( random_function( iran_part ) - 0.5_wp ) * &
778	pdx(particles(n)%group)
779	particles(n)%x = particles(n)%x + &
780	MERGE( rand_contr, SIGN( dx, rand_contr ), &
781	ABS( rand_contr ) < dx &
782	)
783	ENDIF
784	IF ( pss(particles(n)%group) /= psn(particles(n)%group) ) THEN
785	rand_contr = ( random_function( iran_part ) - 0.5_wp ) * &
786	pdy(particles(n)%group)
787	particles(n)%y = particles(n)%y + &
788	MERGE( rand_contr, SIGN( dy, rand_contr ), &
789	ABS( rand_contr ) < dy &
790	)
791	ENDIF
792	IF ( psb(particles(n)%group) /= pst(particles(n)%group) ) THEN
793	rand_contr = ( random_function( iran_part ) - 0.5_wp ) * &
794	pdz(particles(n)%group)
795	particles(n)%z = particles(n)%z + &
796	MERGE( rand_contr, SIGN( dz, rand_contr ), &
797	ABS( rand_contr ) < dz &
798	)
799	ENDIF
800	ENDDO
801	!
802	!-- Identify particles located outside the model domain and reflect
803	!-- or absorb them if necessary.
804	CALL lpm_boundary_conds( 'bottom/top' )
805	!
806	!-- Furthermore, remove particles located in topography. Note, as
807	!-- the particle speed is still zero at this point, wall
808	!-- reflection boundary conditions will not work in this case.
809	particles => &
810	grid_particles(kp,jp,ip)%particles(1:number_of_particles)
811	DO n = local_start(kp,jp,ip), number_of_particles
812	i = ( particles(n)%x + 0.5_wp * dx ) * ddx
813	j = ( particles(n)%y + 0.5_wp * dy ) * ddy
814	IF ( particles(n)%z <= zw(nzb_w_inner(j,i)) ) THEN
815	particles(n)%particle_mask = .FALSE.
816	deleted_particles = deleted_particles + 1
817	ENDIF
818	ENDDO
819	ENDDO
820	ENDDO
821	ENDDO
822	!
823	!-- Exchange particles between grid cells and processors
824	CALL lpm_move_particle
825	CALL lpm_exchange_horiz
826
827	ENDIF
828	!
829	!-- In case of random_start_position, delete particles identified by
830	!-- lpm_exchange_horiz and lpm_boundary_conds. Then sort particles into blocks,
831	!-- which is needed for a fast interpolation of the LES fields on the particle
832	!-- position.
833	CALL lpm_pack_all_arrays
834
835	!
836	!-- Determine maximum number of particles (i.e., all possible particles that
837	!-- have been allocated) and the current number of particles
838	DO ip = nxl, nxr
839	DO jp = nys, nyn
840	DO kp = nzb+1, nzt
841	maximum_number_of_particles = maximum_number_of_particles &
842	+ SIZE(grid_particles(kp,jp,ip)%particles)
843	number_of_particles = number_of_particles &
844	+ prt_count(kp,jp,ip)
845	ENDDO
846	ENDDO
847	ENDDO
848	!
849	!-- Calculate the number of particles of the total domain
850	#if defined( __parallel )
851	IF ( collective_wait ) CALL MPI_BARRIER( comm2d, ierr )
852	CALL MPI_ALLREDUCE( number_of_particles, total_number_of_particles, 1, &
853	MPI_INTEGER, MPI_SUM, comm2d, ierr )
854	#else
855	total_number_of_particles = number_of_particles
856	#endif
857
858	RETURN
859
860	END SUBROUTINE lpm_create_particle
861
862	SUBROUTINE lpm_init_aerosols(local_start)
863
864	USE arrays_3d, &
865	ONLY: hyp, pt, q
866
867	USE cloud_parameters, &
868	ONLY: l_d_rv, rho_l, r_v
869
870	USE constants, &
871	ONLY: pi
872
873	USE kinds
874
875	USE particle_attributes, &
876	ONLY: init_aerosol_probabilistic, molecular_weight_of_solute, &
877	molecular_weight_of_water, n1, n2, n3, rho_s, rm1, rm2, rm3, &
878	s1, s2, s3, vanthoff
879
880	IMPLICIT NONE
881
882	REAL(wp), DIMENSION(:), ALLOCATABLE :: cdf !< CDF of aerosol spectrum
883	REAL(wp), DIMENSION(:), ALLOCATABLE :: r_temp !< dry aerosol radius spectrum
884
885	REAL(wp) :: afactor !< curvature effects
886	REAL(wp) :: bfactor !< solute effects
887	REAL(wp) :: dr !< width of radius bin
888	REAL(wp) :: e_a !< vapor pressure
889	REAL(wp) :: e_s !< saturation vapor pressure
890	REAL(wp) :: n_init !< sum of all aerosol concentrations
891	REAL(wp) :: pdf !< PDF of aerosol spectrum
892	REAL(wp) :: rmin = 1.0e-8_wp !< minimum aerosol radius
893	REAL(wp) :: rmax = 1.0e-6_wp !< maximum aerosol radius
894	REAL(wp) :: rs_rand !< random number
895	REAL(wp) :: r_mid !< mean radius
896	REAL(wp) :: sigma !< surface tension
897	REAL(wp) :: t_int !< temperature
898	REAL(wp) :: weight_sum !< sum of all weighting factors
899
900	INTEGER(iwp), DIMENSION(nzb:nzt+1,nysg:nyng,nxlg:nxrg), INTENT(IN) :: local_start !<
901
902	INTEGER(iwp) :: n !<
903	INTEGER(iwp) :: nn !<
904	INTEGER(iwp) :: no_bins = 999 !< number of bins
905	INTEGER(iwp) :: ip !<
906	INTEGER(iwp) :: jp !<
907	INTEGER(iwp) :: kp !<
908
909	LOGICAL :: new_pdf = .FALSE. !< check if aerosol PDF has to be recalculated
910
911	!
912	!-- Compute aerosol background distribution
913	IF ( init_aerosol_probabilistic ) THEN
914	ALLOCATE( cdf(0:no_bins), r_temp(0:no_bins) )
915	DO n = 0, no_bins
916	r_temp(n) = EXP( LOG(rmin) + ( LOG(rmax) - LOG(rmin ) ) / &
917	REAL(no_bins, KIND=wp) * REAL(n, KIND=wp) )
918
919	cdf(n) = 0.0_wp
920	n_init = n1 + n2 + n3
921	IF ( n1 > 0.0_wp ) THEN
922	cdf(n) = cdf(n) + n1 / n_init * ( 0.5_wp + 0.5_wp * &
923	ERF( LOG( r_temp(n) / rm1 ) / &
924	( SQRT(2.0_wp) * LOG(s1) ) &
925	) )
926	ENDIF
927	IF ( n2 > 0.0_wp ) THEN
928	cdf(n) = cdf(n) + n2 / n_init * ( 0.5_wp + 0.5_wp * &
929	ERF( LOG( r_temp(n) / rm2 ) / &
930	( SQRT(2.0_wp) * LOG(s2) ) &
931	) )
932	ENDIF
933	IF ( n3 > 0.0_wp ) THEN
934	cdf(n) = cdf(n) + n3 / n_init * ( 0.5_wp + 0.5_wp * &
935	ERF( LOG( r_temp(n) / rm3 ) / &
936	( SQRT(2.0_wp) * LOG(s3) ) &
937	) )
938	ENDIF
939
940	ENDDO
941	ENDIF
942
943	DO ip = nxl, nxr
944	DO jp = nys, nyn
945	DO kp = nzb+1, nzt
946
947	number_of_particles = prt_count(kp,jp,ip)
948	IF ( number_of_particles <= 0 ) CYCLE
949	particles => grid_particles(kp,jp,ip)%particles(1:number_of_particles)
950	!
951	!-- Initialize the aerosols with a predefined spectral distribution
952	!-- of the dry radius (logarithmically increasing bins) and a varying
953	!-- weighting factor
954	IF ( .NOT. init_aerosol_probabilistic ) THEN
955
956	new_pdf = .FALSE.
957	IF ( .NOT. ALLOCATED( r_temp ) ) THEN
958	new_pdf = .TRUE.
959	ELSE
960	IF ( SIZE( r_temp ) .NE. &
961	number_of_particles - local_start(kp,jp,ip) + 2 ) THEN
962	new_pdf = .TRUE.
963	DEALLOCATE( r_temp )
964	ENDIF
965	ENDIF
966
967	IF ( new_pdf ) THEN
968
969	no_bins = number_of_particles + 1 - local_start(kp,jp,ip)
970	ALLOCATE( r_temp(0:no_bins) )
971
972	DO n = 0, no_bins
973	r_temp(n) = EXP( LOG(rmin) + ( LOG(rmax) - LOG(rmin ) ) / &
974	REAL(no_bins, KIND=wp) * &
975	REAL(n, KIND=wp) )
976	ENDDO
977
978	ENDIF
979
980	!
981	!-- Calculate radius and concentration of each aerosol
982	DO n = local_start(kp,jp,ip), number_of_particles
983
984	nn = n - local_start(kp,jp,ip)
985
986	r_mid = SQRT( r_temp(nn) * r_temp(nn+1) )
987	dr = r_temp(nn+1) - r_temp(nn)
988
989	pdf = 0.0_wp
990	n_init = n1 + n2 + n3
991	IF ( n1 > 0.0_wp ) THEN
992	pdf = pdf + n1 / n_init * ( 1.0_wp / ( r_mid * LOG(s1) * &
993	SQRT( 2.0_wp * pi ) &
994	) * &
995	EXP( -( LOG( r_mid / rm1 ) )**2 / &
996	( 2.0_wp * LOG(s1)**2 ) &
997	) &
998	)
999	ENDIF
1000	IF ( n2 > 0.0_wp ) THEN
1001	pdf = pdf + n2 / n_init * ( 1.0_wp / ( r_mid * LOG(s2) * &
1002	SQRT( 2.0_wp * pi ) &
1003	) * &
1004	EXP( -( LOG( r_mid / rm2 ) )**2 / &
1005	( 2.0_wp * LOG(s2)**2 ) &
1006	) &
1007	)
1008	ENDIF
1009	IF ( n3 > 0.0_wp ) THEN
1010	pdf = pdf + n3 / n_init * ( 1.0_wp / ( r_mid * LOG(s3) * &
1011	SQRT( 2.0_wp * pi ) &
1012	) * &
1013	EXP( -( LOG( r_mid / rm3 ) )**2 / &
1014	( 2.0_wp * LOG(s3)**2 ) &
1015	) &
1016	)
1017	ENDIF
1018
1019	particles(n)%rvar2 = r_mid
1020	particles(n)%weight_factor = pdf * dr
1021
1022	END DO
1023	!
1024	!-- Adjust weighting factors to initialize the same number of aerosols
1025	!-- in every grid box
1026	weight_sum = SUM(particles(local_start(kp,jp,ip):number_of_particles)%weight_factor)
1027
1028	particles(local_start(kp,jp,ip):number_of_particles)%weight_factor = &
1029	particles(local_start(kp,jp,ip):number_of_particles)%weight_factor / &
1030	weight_sum * initial_weighting_factor * ( no_bins + 1 )
1031
1032	ENDIF
1033	!
1034	!-- Initialize the aerosols with a predefined weighting factor but
1035	!-- a randomly choosen dry radius
1036	IF ( init_aerosol_probabilistic ) THEN
1037
1038	DO n = local_start(kp,jp,ip), number_of_particles !only new particles
1039
1040	rs_rand = -1.0_wp
1041	DO WHILE ( rs_rand .LT. cdf(0) .OR. rs_rand .GE. cdf(no_bins) )
1042	rs_rand = random_function( iran_part )
1043	ENDDO
1044	!
1045	!-- Determine aerosol dry radius by a random number generator
1046	DO nn = 0, no_bins-1
1047	IF ( cdf(nn) .LE. rs_rand .AND. cdf(nn+1) .GT. rs_rand ) THEN
1048	particles(n)%rvar2 = r_temp(nn) + ( r_temp(nn+1) - r_temp(nn) ) / &
1049	( cdf(nn+1) - cdf(nn) ) * ( rs_rand - cdf(nn) )
1050	EXIT
1051	ENDIF
1052	ENDDO
1053
1054	ENDDO
1055
1056	ENDIF
1057
1058	!
1059	!-- Set particle radius to equilibrium radius based on the environmental
1060	!-- supersaturation (Khvorostyanov and Curry, 2007, JGR). This avoids
1061	!-- the sometimes lengthy growth toward their equilibrium radius within
1062	!-- the simulation.
1063	t_int = pt(kp,jp,ip) * ( hyp(kp) / 100000.0_wp )**0.286_wp
1064
1065	e_s = 611.0_wp * EXP( l_d_rv * ( 3.6609E-3_wp - 1.0_wp / t_int ) )
1066	e_a = q(kp,jp,ip) * hyp(kp) / ( 0.378_wp * q(kp,jp,ip) + 0.622_wp )
1067
1068	sigma = 0.0761_wp - 0.000155_wp * ( t_int - 273.15_wp )
1069	afactor = 2.0_wp * sigma / ( rho_l * r_v * t_int )
1070
1071	bfactor = vanthoff * molecular_weight_of_water * &
1072	rho_s / ( molecular_weight_of_solute * rho_l )
1073	!
1074	!-- The formula is only valid for subsaturated environments. For
1075	!-- supersaturations higher than -5 %, the supersaturation is set to -5%.
1076	IF ( e_a / e_s >= 0.95_wp ) e_a = 0.95_wp * e_s
1077
1078	DO n = local_start(kp,jp,ip), number_of_particles !only new particles
1079	!
1080	!-- For details on this equation, see Eq. (14) of Khvorostyanov and
1081	!-- Curry (2007, JGR)
1082	particles(n)%radius = bfactor*0.3333333_wp &
1083	particles(n)%rvar2 / ( 1.0_wp - e_a / e_s )**0.3333333_wp / &
1084	( 1.0_wp + ( afactor / ( 3.0_wp * bfactor*0.3333333_wp &
1085	particles(n)%rvar2 ) ) / &
1086	( 1.0_wp - e_a / e_s )**0.6666666_wp &
1087	)
1088
1089	ENDDO
1090
1091	ENDDO
1092	ENDDO
1093	ENDDO
1094	!
1095	!-- Deallocate used arrays
1096	IF ( ALLOCATED(r_temp) ) DEALLOCATE( r_temp )
1097	IF ( ALLOCATED(cdf) ) DEALLOCATE( cdf )
1098
1099	END SUBROUTINE lpm_init_aerosols
1100
1101	END MODULE lpm_init_mod

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