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source: palm/trunk/SOURCE/lpm_init.f90 @ 2122

Last change on this file since 2122 was 2122, checked in by hoffmann, 7 years ago
introduction of a particle ID, improvement of equilibrium radius calculation, and reformatting
Property svn:keywords set to `Id`
File size: 44.1 KB

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

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