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timemanager_mpi.f90 @ ec7fc72

10.4.1_peseiGFS_025bugfixes+enhancementsdevrelease-10release-10.4.1scaling-bugunivie

Last change on this file since ec7fc72 was ec7fc72, checked in by Espen Sollum ATMOS <eso@…>, 8 years ago
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1	!**********************************************************************
2	! Copyright 1998,1999,2000,2001,2002,2005,2007,2008,2009,2010 *
3	! Andreas Stohl, Petra Seibert, A. Frank, Gerhard Wotawa, *
4	! Caroline Forster, Sabine Eckhardt, John Burkhart, Harald Sodemann *
5	! *
6	! This file is part of FLEXPART. *
7	! *
8	! FLEXPART is free software: you can redistribute it and/or modify *
9	! it under the terms of the GNU General Public License as published by*
10	! the Free Software Foundation, either version 3 of the License, or *
11	! (at your option) any later version. *
12	! *
13	! FLEXPART is distributed in the hope that it will be useful, *
14	! but WITHOUT ANY WARRANTY; without even the implied warranty of *
15	! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
16	! GNU General Public License for more details. *
17	! *
18	! You should have received a copy of the GNU General Public License *
19	! along with FLEXPART. If not, see <http://www.gnu.org/licenses/>. *
20	!**********************************************************************
21
22	subroutine timemanager
23
24	!*****************************************************************************
25	! *
26	! Handles the computation of trajectories, i.e. determines which *
27	! trajectories have to be computed at what time. *
28	! Manages dry+wet deposition routines, radioactive decay and the computation *
29	! of concentrations. *
30	! *
31	! Author: A. Stohl *
32	! *
33	! 20 May 1996 *
34	! *
35	!*****************************************************************************
36	! Changes, Bernd C. Krueger, Feb. 2001: *
37	! Call of convmix when new windfield is read *
38	!------------------------------------ *
39	! Changes Petra Seibert, Sept 2002 *
40	! fix wet scavenging problem *
41	! Code may not be correct for decay of deposition! *
42	! Changes Petra Seibert, Nov 2002 *
43	! call convection BEFORE new fields are read in BWD mode *
44	! Changes Caroline Forster, Feb 2005 *
45	! new interface between flexpart and convection scheme *
46	! Emanuel's latest subroutine convect43c.f is used *
47	! Changes Stefan Henne, Harald Sodemann, 2013-2014 *
48	! added netcdf output code *
49	! Changes Espen Sollum 2014 *
50	! MPI version *
51	! Variables uap,ucp,uzp,us,vs,ws,cbt now in module com_mod *
52	!*****************************************************************************
53	! *
54	! Variables: *
55	! dep .true. if either wet or dry deposition is switched on *
56	! decay(maxspec) [1/s] decay constant for radioactive decay *
57	! drydep .true. if dry deposition is switched on *
58	! ideltas [s] modelling period *
59	! itime [s] actual temporal position of calculation *
60	! ldeltat [s] time since computation of radioact. decay of depositions*
61	! loutaver [s] averaging period for concentration calculations *
62	! loutend [s] end of averaging for concentration calculations *
63	! loutnext [s] next time at which output fields shall be centered *
64	! loutsample [s] sampling interval for averaging of concentrations *
65	! loutstart [s] start of averaging for concentration calculations *
66	! loutstep [s] time interval for which concentrations shall be *
67	! calculated *
68	! npoint(maxpart) index, which starting point the trajectory has *
69	! starting positions of trajectories *
70	! nstop serves as indicator for fate of particles *
71	! in the particle loop *
72	! nstop1 serves as indicator for wind fields (see getfields) *
73	! memstat additional indicator for wind fields (see getfields) *
74	! outnum number of samples for each concentration calculation *
75	! prob probability of absorption at ground due to dry *
76	! deposition *
77	! wetdep .true. if wet deposition is switched on *
78	! weight weight for each concentration sample (1/2 or 1) *
79	! uap(maxpart),ucp(maxpart),uzp(maxpart) = random velocities due to *
80	! turbulence *
81	! us(maxpart),vs(maxpart),ws(maxpart) = random velocities due to inter- *
82	! polation *
83	! xtra1(maxpart), ytra1(maxpart), ztra1(maxpart) = *
84	! spatial positions of trajectories *
85	! *
86	! Constants: *
87	! maxpart maximum number of trajectories *
88	! *
89	!*****************************************************************************
90
91	use unc_mod
92	use point_mod
93	use xmass_mod
94	use flux_mod
95	use outg_mod
96	use oh_mod
97	use par_mod
98	use com_mod
99	use mpi_mod
100	use netcdf_output_mod, only: concoutput_netcdf,concoutput_nest_netcdf,&
101	&concoutput_surf_netcdf,concoutput_surf_nest_netcdf
102
103	implicit none
104
105	logical :: reqv_state=.false. ! .true. if waiting for a MPI_Irecv to complete
106	integer :: j,ks,kp,l,n,itime=0,nstop,nstop1,memstat=0,mind
107	! integer :: ksp
108	integer :: ip
109	integer :: loutnext,loutstart,loutend
110	integer :: ix,jy,ldeltat,itage,nage
111	integer :: i_nan=0,ii_nan,total_nan_intl=0 !added by mc to check instability in CBL scheme
112	integer :: numpart_tot_mpi ! for summing particles on all processes
113	real :: outnum,weight,prob(maxspec)
114	real :: decfact
115
116	real(sp) :: gridtotalunc
117	real(dep_prec) :: drygridtotalunc,wetgridtotalunc,drydeposit(maxspec)
118	real :: xold,yold,zold,xmassfract
119	real, parameter :: e_inv = 1.0/exp(1.0)
120
121	! Measure time spent in timemanager
122	if (mp_measure_time) call mpif_mtime('timemanager',0)
123
124	! First output for time 0
125	!************************
126
127	loutnext=loutstep/2
128	outnum=0.
129	loutstart=loutnext-loutaver/2
130	loutend=loutnext+loutaver/2
131
132
133	!**********************************************************************
134	! Loop over the whole modelling period in time steps of mintime seconds
135	!**********************************************************************
136
137
138	! itime=0
139	if (lroot) then
140	! write(,45) itime,numpartmp_partgroup_np,gridtotalunc,wetgridtotalunc,drygridtotalunc
141	write(,46) float(itime)/3600,itime,numpartmp_partgroup_np
142
143	if (verbosity.gt.0) then
144	write (,) 'timemanager> starting simulation'
145	end if
146	end if ! (lroot)
147
148	!CGZ-lifetime: set lifetime to 0
149	! checklifetime(:,:)=0
150	! species_lifetime(:,:)=0
151	! print*, 'Initialized lifetime'
152	!CGZ-lifetime: set lifetime to 0
153
154
155
156	do itime=0,ideltas,lsynctime
157
158	! Computation of wet deposition, OH reaction and mass transfer
159	! between two species every lsynctime seconds
160	! maybe wet depo frequency can be relaxed later but better be on safe side
161	! wetdepo must be called BEFORE new fields are read in but should not
162	! be called in the very beginning before any fields are loaded, or
163	! before particles are in the system
164	! Code may not be correct for decay of deposition
165	! changed by Petra Seibert 9/02
166	!********************************************************************
167
168	if (mp_dev_mode) write(,) 'myid, itime: ',mp_pid,itime
169
170	if (wetdep .and. itime .ne. 0 .and. numpart .gt. 0) then
171	if (verbosity.gt.0) then
172	write (,) 'timemanager> call wetdepo'
173	endif
174
175	if (mp_measure_time) call mpif_mtime('wetdepo',0)
176
177	! readwind process skips this step
178	if (.not.(lmpreader.and.lmp_use_reader)) then
179	call wetdepo(itime,lsynctime,loutnext)
180	end if
181
182	if (mp_measure_time) call mpif_mtime('wetdepo',1)
183	end if
184
185	if (OHREA .and. itime .ne. 0 .and. numpart .gt. 0) then
186	! readwind process skips this step
187	if (.not.(lmpreader.and.lmp_use_reader)) then
188	call ohreaction(itime,lsynctime,loutnext)
189	endif
190	end if
191
192	if (assspec .and. itime .ne. 0 .and. numpart .gt. 0) then
193	stop 'associated species not yet implemented!'
194	! call transferspec(itime,lsynctime,loutnext)
195	endif
196
197
198	! compute convection for backward runs
199	!*************************************
200
201	if ((ldirect.eq.-1).and.(lconvection.eq.1).and.(itime.lt.0)) then
202	if (verbosity.gt.0) then
203	write (,) 'timemanager> call convmix -- backward'
204	endif
205	! readwind process skips this step
206	if (.not.(lmpreader.and.lmp_use_reader)) call convmix(itime)
207	endif
208
209	! Get necessary wind fields if not available
210	!*******************************************
211	if (verbosity.gt.0 .and. lmpreader) then
212	write (,) 'timemanager> call getfields'
213	endif
214
215	! This time measure includes reading/MPI communication (for the reader process),
216	! or MPI communication time only (for other processes)
217	if (mp_measure_time) call mpif_mtime('getfields',0)
218
219	call getfields(itime,nstop1,memstat)
220
221	if (mp_measure_time) call mpif_mtime('getfields',1)
222
223
224	! Broadcast fields to all MPI processes
225	! Skip if all processes have called getfields or if no new fields
226	!*****************************************************************
227
228	if (mp_measure_time.and..not.(lmpreader.and.lmp_use_reader)) call mpif_mtime('getfields',0)
229
230	! Version 1 (lmp_sync=.true.) uses a read-ahead process where send/recv is done
231	! in sync at start of each new field time interval
232	if (lmp_sync.and.lmp_use_reader.and.memstat.gt.0) then
233	call mpif_gf_send_vars(memstat)
234	if (numbnests>0) call mpif_gf_send_vars_nest(memstat)
235	! Version 2 (lmp_sync=.false., see below) is also used whenever 2 new fields are
236	! read (as at first time step), in which case async send/recv is impossible.
237	else if (.not.lmp_sync.and.lmp_use_reader.and.memstat.ge.32) then
238	call mpif_gf_send_vars(memstat)
239	if (numbnests>0) call mpif_gf_send_vars_nest(memstat)
240	end if
241
242	! Version 2 (lmp_sync=.false.) is for holding three fields in memory. Uses a
243	! read-ahead process where sending/receiving of the 3rd fields is done in
244	! the background in parallel with performing computations with fields 1&2
245	!********************************************************************************
246	if (.not.lmp_sync) then
247
248	! READER PROCESS:
249	if (memstat.gt.0..and.memstat.lt.32.and.lmp_use_reader.and.lmpreader) then
250	if (mp_dev_mode) write(,) 'Reader process: calling mpif_gf_send_vars_async'
251	call mpif_gf_send_vars_async(memstat)
252	end if
253
254	! COMPLETION CHECK:
255	! Issued at start of each new field period.
256	if (memstat.ne.0.and.memstat.lt.32.and.lmp_use_reader) then
257	call mpif_gf_request
258	end if
259
260	! RECVEIVING PROCESS(ES):
261	! eso TODO: at this point we do not know if clwc/ciwc will be available
262	! at next time step. Issue receive request anyway, cancel at mpif_gf_request
263	if (memstat.gt.0.and.lmp_use_reader.and..not.lmpreader) then
264	if (mp_dev_mode) write(,) 'Receiving process: calling mpif_gf_send_vars_async. PID: ', mp_pid
265	call mpif_gf_recv_vars_async(memstat)
266	end if
267
268	end if
269
270	if (mp_measure_time.and..not.(lmpreader.and.lmp_use_reader)) call mpif_mtime('getfields',1)
271
272	! For validation and tests: call the function below to set all fields to simple
273	! homogeneous values
274	if (mp_dev_mode) call set_fields_synthetic
275
276	!*******************************************************************************
277
278	if (lmpreader.and.nstop1.gt.1) stop 'NO METEO FIELDS AVAILABLE'
279
280	! Reader process goes back to top of time loop (unless simulation end)
281	!*********************************************************************
282
283	if (lmpreader.and.lmp_use_reader) then
284	if (itime.lt.ideltas*ldirect) then
285	cycle
286	else
287	goto 999
288	end if
289	end if
290
291
292	! Get hourly OH fields if not available
293	!****************************************************
294	if (OHREA) then
295	if (verbosity.gt.0) then
296	write (,) 'timemanager> call gethourlyOH'
297	endif
298	call gethourlyOH(itime)
299	endif
300
301
302	! Release particles
303	!******************
304
305	if (verbosity.gt.0.and.lroot) then
306	write (,) 'timemanager> Release particles'
307	endif
308
309	if (mdomainfill.ge.1) then
310	if (itime.eq.0) then
311	if (verbosity.gt.0) then
312	write (,) 'timemanager> call init_domainfill'
313	endif
314	call init_domainfill
315	else
316	if (verbosity.gt.0.and.lroot) then
317	write (,) 'timemanager> call boundcond_domainfill'
318	endif
319	call boundcond_domainfill(itime,loutend)
320	endif
321	else
322	if (verbosity.gt.0.and.lroot) then
323	print*,'call releaseparticles'
324	endif
325	call releaseparticles(itime)
326	endif
327
328
329	! Compute convective mixing for forward runs
330	! for backward runs it is done before next windfield is read in
331	!**************************************************************
332
333	if ((ldirect.eq.1).and.(lconvection.eq.1)) then
334	if (verbosity.gt.0) then
335	write (,) 'timemanager> call convmix -- forward'
336	endif
337	call convmix(itime)
338	endif
339
340	! If middle of averaging period of output fields is reached, accumulated
341	! deposited mass radioactively decays
342	!***********************************************************************
343
344	if (DEP.and.(itime.eq.loutnext).and.(ldirect.gt.0)) then
345	do ks=1,nspec
346	do kp=1,maxpointspec_act
347	if (decay(ks).gt.0.) then ! TODO move this statement up 2 levels
348	do nage=1,nageclass
349	do l=1,nclassunc
350	! Mother output grid
351	do jy=0,numygrid-1
352	do ix=0,numxgrid-1
353	wetgridunc(ix,jy,ks,kp,l,nage)= &
354	wetgridunc(ix,jy,ks,kp,l,nage)* &
355	exp(-1.outstepdecay(ks))
356	drygridunc(ix,jy,ks,kp,l,nage)= &
357	drygridunc(ix,jy,ks,kp,l,nage)* &
358	exp(-1.outstepdecay(ks))
359	end do
360	end do
361	! Nested output grid
362	if (nested_output.eq.1) then
363	do jy=0,numygridn-1
364	do ix=0,numxgridn-1
365	wetgriduncn(ix,jy,ks,kp,l,nage)= &
366	wetgriduncn(ix,jy,ks,kp,l,nage)* &
367	exp(-1.outstepdecay(ks))
368	drygriduncn(ix,jy,ks,kp,l,nage)= &
369	drygriduncn(ix,jy,ks,kp,l,nage)* &
370	exp(-1.outstepdecay(ks))
371	end do
372	end do
373	endif
374	end do
375	end do
376	endif
377	end do
378	end do
379	endif
380
381
382	!!! CHANGE: These lines may be switched on to check the conservation
383	!!! of mass within FLEXPART
384	! if (itime.eq.loutnext) then
385	! do 247 ksp=1, nspec
386	! do 247 kp=1, maxpointspec_act
387	!47 xm(ksp,kp)=0.
388
389	! do 249 ksp=1, nspec
390	! do 249 j=1,numpart
391	! if (ioutputforeachrelease.eq.1) then
392	! kp=npoint(j)
393	! else
394	! kp=1
395	! endif
396	! if (itra1(j).eq.itime) then
397	! xm(ksp,kp)=xm(ksp,kp)+xmass1(j,ksp)
398	! write(,) 'xmass: ',xmass1(j,ksp),j,ksp,nspec
399	! endif
400	!49 continue
401	! do 248 ksp=1,nspec
402	! do 248 kp=1,maxpointspec_act
403	! xm_depw(ksp,kp)=0.
404	! xm_depd(ksp,kp)=0.
405	! do 248 nage=1,nageclass
406	! do 248 ix=0,numxgrid-1
407	! do 248 jy=0,numygrid-1
408	! do 248 l=1,nclassunc
409	! xm_depw(ksp,kp)=xm_depw(ksp,kp)
410	! + +wetgridunc(ix,jy,ksp,kp,l,nage)
411	!48 xm_depd(ksp,kp)=xm_depd(ksp,kp)
412	! + +drygridunc(ix,jy,ksp,kp,l,nage)
413	! do 246 ksp=1,nspec
414	!46 write(88,'(2i10,3e12.3)')
415	! + itime,ksp,(xm(ksp,kp),kp=1,maxpointspec_act),
416	! + (xm_depw(ksp,kp),kp=1,maxpointspec_act),
417	! + (xm_depd(ksp,kp),kp=1,maxpointspec_act)
418	! endif
419	!!! CHANGE
420
421
422
423
424	! Check whether concentrations are to be calculated
425	!**************************************************
426
427	if ((ldirectitime.ge.ldirectloutstart).and. &
428	(ldirectitime.le.ldirectloutend)) then ! add to grid
429	if (mod(itime-loutstart,loutsample).eq.0) then
430
431	! If we are exactly at the start or end of the concentration averaging interval,
432	! give only half the weight to this sample
433	!*****************************************************************************
434
435	if ((itime.eq.loutstart).or.(itime.eq.loutend)) then
436	weight=0.5
437	else
438	weight=1.0
439	endif
440	outnum=outnum+weight
441
442	call conccalc(itime,weight)
443
444	endif
445
446	! :TODO: MPI output of particle positions; each process sequentially
447	! access the same file
448	if ((mquasilag.eq.1).and.(itime.eq.(loutstart+loutend)/2)) &
449	call partoutput_short(itime) ! dump particle positions in extremely compressed format
450
451
452	! Output and reinitialization of grid
453	! If necessary, first sample of new grid is also taken
454	!*****************************************************
455
456	if ((itime.eq.loutend).and.(outnum.gt.0.)) then
457	if ((iout.le.3.).or.(iout.eq.5)) then
458
459	! MPI: Root process collects/sums grids
460	!**************************************
461	call mpif_tm_reduce_grid
462
463	if (mp_measure_time) call mpif_mtime('iotime',0)
464	if (surf_only.ne.1) then
465	if (lroot) then
466	if (lnetcdfout.eq.1) then
467	call concoutput_netcdf(itime,outnum,gridtotalunc,wetgridtotalunc,&
468	&drygridtotalunc)
469	else
470	call concoutput(itime,outnum,gridtotalunc,wetgridtotalunc,drygridtotalunc)
471	endif
472	else
473	! zero arrays on non-root processes
474	gridunc(:,:,:,:,:,:,:)=0.
475	creceptor(:,:)=0.
476	end if
477	else
478	if (lroot) then
479	if (lnetcdfout.eq.1) then
480	call concoutput_surf_netcdf(itime,outnum,gridtotalunc,wetgridtotalunc,&
481	&drygridtotalunc)
482	else
483	call concoutput_surf(itime,outnum,gridtotalunc,wetgridtotalunc,drygridtotalunc)
484	end if
485	else
486	! zero arrays on non-root processes
487	gridunc(:,:,:,:,:,:,:)=0.
488	creceptor(:,:)=0.
489	endif
490	endif
491	if (mp_measure_time) call mpif_mtime('iotime',1)
492
493	if (nested_output.eq.1) then
494
495	! MPI: Root process collects/sums nested grids
496	!*********************************************
497	call mpif_tm_reduce_grid_nest
498
499	if (mp_measure_time) call mpif_mtime('iotime',0)
500
501	if (lnetcdfout.eq.0) then
502	if (surf_only.ne.1) then
503
504	if (lroot) then
505	call concoutput_nest(itime,outnum)
506	else
507	griduncn(:,:,:,:,:,:,:)=0.
508	end if
509
510	else ! :TODO: check for zeroing in the netcdf module
511	call concoutput_surf_nest(itime,outnum)
512
513	end if
514
515	else
516
517	if (surf_only.ne.1) then
518	if (lroot) then
519	call concoutput_nest_netcdf(itime,outnum)
520	else
521	griduncn(:,:,:,:,:,:,:)=0.
522	end if
523	else
524	if (lroot) then
525	call concoutput_surf_nest_netcdf(itime,outnum)
526	else
527	griduncn(:,:,:,:,:,:,:)=0.
528	end if
529	endif
530
531
532	end if
533	end if
534
535
536	outnum=0.
537	endif
538	if ((iout.eq.4).or.(iout.eq.5)) call plumetraj(itime)
539	if (iflux.eq.1) call fluxoutput(itime)
540	if (mp_measure_time) call mpif_mtime('iotime',1)
541
542
543	! Decide whether to write an estimate of the number of particles released,
544	! or exact number (require MPI reduce operation)
545	numpart_tot_mpi = numpart*mp_partgroup_np
546
547	if (mp_exact_numpart.and..not.(lmpreader.and.lmp_use_reader)) then
548	call MPI_Reduce(numpart, numpart_tot_mpi, 1, MPI_INTEGER, MPI_SUM, id_root, &
549	& mp_comm_used, mp_ierr)
550	endif
551
552	!CGZ-lifetime: output species lifetime
553	if (lroot) then
554	! write(,) 'Overview species lifetime in days', &
555	! real((species_lifetime(:,1)/species_lifetime(:,2))/real(3600.0*24.0))
556	! write(,) 'all info:',species_lifetime
557	write(*,45) itime,numpart_tot_mpi,gridtotalunc,&
558	&wetgridtotalunc,drygridtotalunc
559	! if (verbosity.gt.0) then
560	! write (,) 'timemanager> starting simulation'
561	! end if
562	end if
563
564	45 format(i13,' SECONDS SIMULATED: ',i13, ' PARTICLES: Uncertainty: ',3f7.3)
565	46 format(' Simulated ',f7.1,' hours (',i13,' s), ',i13, ' particles')
566	if (ipout.ge.1) then
567	do ip=0, mp_partgroup_np-1
568	if (ip.eq.mp_partid) call partoutput(itime) ! dump particle positions
569	call mpif_mpi_barrier
570	end do
571	end if
572
573	loutnext=loutnext+loutstep
574	loutstart=loutnext-loutaver/2
575	loutend=loutnext+loutaver/2
576	if (itime.eq.loutstart) then
577	weight=0.5
578	outnum=outnum+weight
579	call conccalc(itime,weight)
580	endif
581
582
583	! Check, whether particles are to be split:
584	! If so, create new particles and attribute all information from the old
585	! particles also to the new ones; old and new particles both get half the
586	! mass of the old ones
587	!************************************************************************
588
589	if (ldirectitime.ge.ldirectitsplit) then
590	n=numpart
591	do j=1,numpart
592	if (ldirectitime.ge.ldirectitrasplit(j)) then
593	! if (n.lt.maxpart) then
594	if (n.lt.maxpart_mpi) then
595	n=n+1
596	itrasplit(j)=2*(itrasplit(j)-itramem(j))+itramem(j)
597	itrasplit(n)=itrasplit(j)
598	itramem(n)=itramem(j)
599	itra1(n)=itra1(j)
600	idt(n)=idt(j)
601	npoint(n)=npoint(j)
602	nclass(n)=nclass(j)
603	xtra1(n)=xtra1(j)
604	ytra1(n)=ytra1(j)
605	ztra1(n)=ztra1(j)
606	uap(n)=uap(j)
607	ucp(n)=ucp(j)
608	uzp(n)=uzp(j)
609	us(n)=us(j)
610	vs(n)=vs(j)
611	ws(n)=ws(j)
612	cbt(n)=cbt(j)
613	do ks=1,nspec
614	xmass1(j,ks)=xmass1(j,ks)/2.
615	xmass1(n,ks)=xmass1(j,ks)
616	end do
617	endif
618	endif
619	end do
620	numpart=n
621	endif
622	endif
623	endif
624
625
626	if (itime.eq.ideltas) exit ! almost finished
627
628	! Compute interval since radioactive decay of deposited mass was computed
629	!************************************************************************
630
631	if (itime.lt.loutnext) then
632	ldeltat=itime-(loutnext-loutstep)
633	else ! first half of next interval
634	ldeltat=itime-loutnext
635	endif
636
637
638	! Loop over all particles
639	!************************
640	if (mp_measure_time) call mpif_mtime('partloop1',0)
641
642	!--------------------------------------------------------------------------------
643	! various variables for testing reason of CBL scheme, by mc
644	well_mixed_vector=0. !erase vector to test well mixed condition: modified by mc
645	well_mixed_norm=0. !erase normalization to test well mixed condition: modified by mc
646	avg_ol=0.
647	avg_wst=0.
648	avg_h=0.
649	avg_air_dens=0. !erase vector to obtain air density at particle positions: modified by mc
650	!--------------------------------------------------------------------------------
651
652	do j=1,numpart
653
654	! If integration step is due, do it
655	!**********************************
656
657	if (itra1(j).eq.itime) then
658
659	if (ioutputforeachrelease.eq.1) then
660	kp=npoint(j)
661	else
662	kp=1
663	endif
664	! Determine age class of the particle
665	itage=abs(itra1(j)-itramem(j))
666	do nage=1,nageclass
667	if (itage.lt.lage(nage)) exit
668	end do
669
670	! Initialize newly released particle
671	!***********************************
672
673	if ((itramem(j).eq.itime).or.(itime.eq.0)) &
674	call initialize(itime,idt(j),uap(j),ucp(j),uzp(j), &
675	us(j),vs(j),ws(j),xtra1(j),ytra1(j),ztra1(j),cbt(j))
676
677	! Memorize particle positions
678	!****************************
679
680	xold=xtra1(j)
681	yold=ytra1(j)
682	zold=ztra1(j)
683
684	! Integrate Lagevin equation for lsynctime seconds
685	!*************************************************
686
687	if (mp_measure_time) call mpif_mtime('advance',0)
688
689	call advance(itime,npoint(j),idt(j),uap(j),ucp(j),uzp(j), &
690	us(j),vs(j),ws(j),nstop,xtra1(j),ytra1(j),ztra1(j),prob, &
691	cbt(j))
692
693	if (mp_measure_time) call mpif_mtime('advance',1)
694
695
696	! Calculate the gross fluxes across layer interfaces
697	!***************************************************
698
699	if (iflux.eq.1) call calcfluxes(nage,j,xold,yold,zold)
700
701
702	! Determine, when next time step is due
703	! If trajectory is terminated, mark it
704	!**************************************
705
706	if (nstop.gt.1) then
707	if (linit_cond.ge.1) call initial_cond_calc(itime,j)
708	itra1(j)=-999999999
709	else
710	itra1(j)=itime+lsynctime
711
712
713	! Dry deposition and radioactive decay for each species
714	! Also check maximum (of all species) of initial mass remaining on the particle;
715	! if it is below a threshold value, terminate particle
716	!*****************************************************************************
717
718	xmassfract=0.
719	do ks=1,nspec
720	if (decay(ks).gt.0.) then ! radioactive decay
721	decfact=exp(-real(abs(lsynctime))*decay(ks))
722	else
723	decfact=1.
724	endif
725
726	if (DRYDEPSPEC(ks)) then ! dry deposition
727	drydeposit(ks)=xmass1(j,ks)prob(ks)decfact
728	xmass1(j,ks)=xmass1(j,ks)(1.-prob(ks))decfact
729	if (decay(ks).gt.0.) then ! correct for decay (see wetdepo)
730	drydeposit(ks)=drydeposit(ks)* &
731	exp(real(abs(ldeltat))*decay(ks))
732	endif
733	else ! no dry deposition
734	xmass1(j,ks)=xmass1(j,ks)*decfact
735	endif
736
737
738	if (mdomainfill.eq.0) then
739	if (xmass(npoint(j),ks).gt.0.)then
740	xmassfract=max(xmassfract,real(npart(npoint(j)))* &
741	xmass1(j,ks)/xmass(npoint(j),ks))
742
743	!CGZ-lifetime: Check mass fraction left/save lifetime
744	! if(lroot.and.real(npart(npoint(j)))*xmass1(j,ks)/xmass(npoint(j),ks).lt.e_inv.and.checklifetime(j,ks).eq.0.)then
745	!Mass below 1% of initial >register lifetime
746	! checklifetime(j,ks)=abs(itra1(j)-itramem(j))
747
748	! species_lifetime(ks,1)=species_lifetime(ks,1)+abs(itra1(j)-itramem(j))
749	! species_lifetime(ks,2)= species_lifetime(ks,2)+1
750	! endif
751	!CGZ-lifetime: Check mass fraction left/save lifetime
752
753	endif
754	else
755	xmassfract=1.
756	endif
757	end do
758
759	if (xmassfract.lt.minmass) then ! .and. sum(real(npart(npoint(j)))*xmass1(j,:)).lt.1.0) then ! terminate all particles carrying less mass
760	! print,'terminated particle ',j,' for small mass (', sum(real(npart(npoint(j))) &
761	! xmass1(j,:)), ' of ', sum(xmass(npoint(j),:)),')'
762	itra1(j)=-999999999
763	endif
764
765	! Sabine Eckhardt, June 2008
766	! don't create depofield for backward runs
767	if (DRYDEP.AND.(ldirect.eq.1)) then
768	call drydepokernel(nclass(j),drydeposit,real(xtra1(j)), &
769	real(ytra1(j)),nage,kp)
770	if (nested_output.eq.1) call drydepokernel_nest( &
771	nclass(j),drydeposit,real(xtra1(j)),real(ytra1(j)), &
772	nage,kp)
773	endif
774
775	! Terminate trajectories that are older than maximum allowed age
776	!***************************************************************
777
778	if (abs(itra1(j)-itramem(j)).ge.lage(nageclass)) then
779	if (linit_cond.ge.1) &
780	call initial_cond_calc(itime+lsynctime,j)
781	itra1(j)=-999999999
782	!print*, 'terminated particle ',j,'for age'
783	endif
784	endif
785
786	endif
787
788	end do ! j=1, numpart
789
790	if(mp_measure_time) call mpif_mtime('partloop1',1)
791
792
793	! Added by mc: counter of "unstable" particle velocity during a time scale
794	! of maximumtl=20 minutes (defined in com_mod)
795
796	total_nan_intl=0
797	i_nan=i_nan+1 ! added by mc to count nan during a time of maxtl (i.e. maximum tl fixed here to 20 minutes, see com_mod)
798	sum_nan_count(i_nan)=nan_count
799	if (i_nan > maxtl/lsynctime) i_nan=1 !lsynctime must be <= maxtl
800	do ii_nan=1, (maxtl/lsynctime)
801	total_nan_intl=total_nan_intl+sum_nan_count(ii_nan)
802	end do
803
804	! Output to keep track of the numerical instabilities in CBL simulation
805	! and if they are compromising the final result (or not):
806	if (cblflag.eq.1) print *,j,itime,'nan_synctime',nan_count,'nan_tl',total_nan_intl
807
808
809	end do ! itime=0,ideltas,lsynctime
810
811
812	! Complete the calculation of initial conditions for particles not yet terminated
813	!*****************************************************************************
814
815	! eso :TODO: this not implemented yet (transfer particles to PID 0 or rewrite)
816	! the tools to do this are already in mpi_mod.f90
817	if (lroot) then
818	do j=1,numpart
819	if (linit_cond.ge.1) call initial_cond_calc(itime,j)
820	end do
821	end if
822
823
824	if (ipout.eq.2) then
825	! MPI process 0 creates the file, the other processes append to it
826	do ip=0, mp_partgroup_np-1
827	if (ip.eq.mp_partid) then
828	!if (mp_dbg_mode) write(,) 'call partoutput(itime), proc, mp_partid',ip,mp_partid
829	call partoutput(itime) ! dump particle positions
830	end if
831	call mpif_mpi_barrier
832	end do
833	end if
834
835	! eso :TODO: MPI
836	if (linit_cond.ge.1.and.lroot) call initial_cond_output(itime) ! dump initial cond. field
837
838
839	! De-allocate memory and end
840	!***************************
841
842	999 if (iflux.eq.1) then
843	deallocate(flux)
844	endif
845	if (OHREA) then
846	deallocate(OH_field,OH_hourly,lonOH,latOH,altOH)
847	endif
848	if (ldirect.gt.0) then
849	deallocate(drygridunc,wetgridunc)
850	endif
851	deallocate(gridunc)
852	deallocate(xpoint1,xpoint2,ypoint1,ypoint2,zpoint1,zpoint2,xmass, checklifetime)
853	deallocate(ireleasestart,ireleaseend,npart,kindz)
854	deallocate(xmasssave)
855	if (nested_output.eq.1) then
856	deallocate(orooutn, arean, volumen)
857	if (ldirect.gt.0) then
858	deallocate(griduncn,drygriduncn,wetgriduncn)
859	endif
860	endif
861	deallocate(outheight,outheighthalf)
862	deallocate(oroout, area, volume)
863
864	if (mp_measure_time) call mpif_mtime('timemanager',1)
865
866	end subroutine timemanager

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