xref: /petsc/src/ts/tests/ex30.c (revision 2a1887a77e7b2c6e00dd0ba96d1387c839460237)
1 static char help[] = "Grid based Landau collision operator with PIC interface with OpenMP setup. (one species per grid)\n";
2 
3 /*
4    Support 2.5V with axisymmetric coordinates
5      - r,z coordinates
6      - Domain and species data input by Landau operator
7      - "radius" for each grid, normalized with electron thermal velocity
8      - Domain: (0,radius) x (-radius,radius), thus first coordinate x[0] is perpendicular velocity and 2pi*x[0] term is added for axisymmetric
9    Supports full 3V
10 
11  */
12 
13 #include <petscdmplex.h>
14 #include <petscds.h>
15 #include <petscdmswarm.h>
16 #include <petscksp.h>
17 #include <petsc/private/petscimpl.h>
18 #if defined(PETSC_HAVE_OPENMP) && defined(PETSC_HAVE_THREADSAFETY)
19   #include <omp.h>
20 #endif
21 #include <petsclandau.h>
22 #include <petscdmcomposite.h>
23 
24 typedef struct {
25   Mat MpTrans;
26   Mat Mp;
27   Vec ff;
28   Vec uu;
29 } MatShellCtx;
30 
31 typedef struct {
32   PetscInt   v_target;
33   PetscInt   g_target;
34   PetscInt   global_vertex_id_0;
35   DM        *globSwarmArray;
36   LandauCtx *ctx;
37   DM        *grid_dm;
38   Mat       *g_Mass;
39   Mat       *globMpArray;
40   Vec       *globXArray;
41   PetscBool  print;
42   PetscBool  print_entropy;
43 } PrintCtx;
44 
MatMultMtM_SeqAIJ(Mat MtM,Vec xx,Vec yy)45 PetscErrorCode MatMultMtM_SeqAIJ(Mat MtM, Vec xx, Vec yy)
46 {
47   MatShellCtx *matshellctx;
48 
49   PetscFunctionBeginUser;
50   PetscCall(MatShellGetContext(MtM, &matshellctx));
51   PetscCheck(matshellctx, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "No context");
52   PetscCall(MatMult(matshellctx->Mp, xx, matshellctx->ff));
53   PetscCall(MatMult(matshellctx->MpTrans, matshellctx->ff, yy));
54   PetscFunctionReturn(PETSC_SUCCESS);
55 }
56 
MatMultAddMtM_SeqAIJ(Mat MtM,Vec xx,Vec yy,Vec zz)57 PetscErrorCode MatMultAddMtM_SeqAIJ(Mat MtM, Vec xx, Vec yy, Vec zz)
58 {
59   MatShellCtx *matshellctx;
60 
61   PetscFunctionBeginUser;
62   PetscCall(MatShellGetContext(MtM, &matshellctx));
63   PetscCheck(matshellctx, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "No context");
64   PetscCall(MatMult(matshellctx->Mp, xx, matshellctx->ff));
65   PetscCall(MatMultAdd(matshellctx->MpTrans, matshellctx->ff, yy, zz));
66   PetscFunctionReturn(PETSC_SUCCESS);
67 }
68 
createSwarm(const DM dm,PetscInt dim,DM * sw)69 PetscErrorCode createSwarm(const DM dm, PetscInt dim, DM *sw)
70 {
71   PetscInt Nc = 1;
72 
73   PetscFunctionBeginUser;
74   PetscCall(DMCreate(PETSC_COMM_SELF, sw));
75   PetscCall(DMSetType(*sw, DMSWARM));
76   PetscCall(DMSetDimension(*sw, dim));
77   PetscCall(DMSwarmSetType(*sw, DMSWARM_PIC));
78   PetscCall(DMSwarmSetCellDM(*sw, dm));
79   PetscCall(DMSwarmRegisterPetscDatatypeField(*sw, "w_q", Nc, PETSC_REAL));
80   PetscCall(DMSwarmFinalizeFieldRegister(*sw));
81   PetscCall(DMSetFromOptions(*sw));
82   PetscCall(PetscObjectSetName((PetscObject)*sw, "Particle Grid"));
83   PetscFunctionReturn(PETSC_SUCCESS);
84 }
85 
makeSwarm(DM sw,const PetscInt dim,const PetscInt Np,const PetscReal xx[],const PetscReal yy[],const PetscReal zz[])86 static PetscErrorCode makeSwarm(DM sw, const PetscInt dim, const PetscInt Np, const PetscReal xx[], const PetscReal yy[], const PetscReal zz[])
87 {
88   PetscReal    *coords;
89   PetscDataType dtype;
90   PetscInt      bs, p, zero = 0;
91 
92   PetscFunctionBeginUser;
93   PetscCall(DMSwarmSetLocalSizes(sw, Np, zero));
94   PetscCall(DMSwarmGetField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
95   for (p = 0; p < Np; p++) {
96     coords[p * dim + 0] = xx[p];
97     coords[p * dim + 1] = yy[p];
98     if (dim == 3) coords[p * dim + 2] = zz[p];
99   }
100   PetscCall(DMSwarmRestoreField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
101   PetscCall(DMSwarmVectorDefineField(sw, "w_q"));
102   PetscFunctionReturn(PETSC_SUCCESS);
103 }
104 
createMp(const DM dm,DM sw,Mat * Mp_out)105 static PetscErrorCode createMp(const DM dm, DM sw, Mat *Mp_out)
106 {
107   PetscBool removePoints = PETSC_TRUE;
108   Mat       M_p;
109 
110   PetscFunctionBeginUser;
111   // migrate after coords are set
112   PetscCall(DMSwarmMigrate(sw, removePoints));
113   //
114   PetscCall(PetscObjectSetName((PetscObject)sw, "Particle Grid"));
115 
116   /* PetscInt  N,*count,nmin=10000,nmax=0,ntot=0; */
117   /* // count */
118   /* PetscCall(DMSwarmCreatePointPerCellCount(sw, &N, &count)); */
119   /* for (int i=0, n; i< N ; i++) { */
120   /*   if ((n=count[i]) > nmax) nmax = n; */
121   /*   if (n < nmin) nmin = n; */
122   /*   PetscCall(PetscInfo(dm, " %d) %d particles\n", i, n)); */
123   /*   ntot += n; */
124   /* } */
125   /* PetscCall(PetscFree(count)); */
126   /* PetscCall(PetscInfo(dm, " %" PetscInt_FMT " max particle / cell, and %" PetscInt_FMT " min, ratio = %g,  %" PetscInt_FMT " total\n", nmax, nmin, (double)nmax/(double)nmin,ntot)); */
127 
128   /* This gives M f = \int_\Omega \phi f, which looks like a rhs for a PDE */
129   PetscCall(DMCreateMassMatrix(sw, dm, &M_p));
130   PetscCall(DMViewFromOptions(sw, NULL, "-ex30_sw_view"));
131   // output
132   *Mp_out = M_p;
133   PetscFunctionReturn(PETSC_SUCCESS);
134 }
135 
particlesToGrid(const DM dm,DM sw,const PetscInt a_tid,const PetscInt dim,const PetscReal a_wp[],Vec rho,Mat M_p)136 static PetscErrorCode particlesToGrid(const DM dm, DM sw, const PetscInt a_tid, const PetscInt dim, const PetscReal a_wp[], Vec rho, Mat M_p)
137 {
138   PetscReal    *wq;
139   PetscDataType dtype;
140   Vec           ff;
141   PetscInt      bs, p, Np;
142 
143   PetscFunctionBeginUser;
144   PetscCall(DMSwarmGetField(sw, "w_q", &bs, &dtype, (void **)&wq));
145   PetscCall(DMSwarmGetLocalSize(sw, &Np));
146   for (p = 0; p < Np; p++) wq[p] = a_wp[p];
147   PetscCall(DMSwarmRestoreField(sw, "w_q", &bs, &dtype, (void **)&wq));
148   PetscCall(PetscObjectSetName((PetscObject)rho, "rho"));
149   PetscCall(DMSwarmCreateGlobalVectorFromField(sw, "w_q", &ff));
150   PetscCall(PetscObjectSetName((PetscObject)ff, "weights"));
151   PetscCall(MatMultTranspose(M_p, ff, rho));
152   PetscCall(DMSwarmDestroyGlobalVectorFromField(sw, "w_q", &ff));
153   PetscFunctionReturn(PETSC_SUCCESS);
154 }
155 
156 //
157 // add grid to arg 'sw.w_q'
158 //
gridToParticles(const DM dm,DM sw,const Vec rhs,Vec work_ferhs,Mat M_p,Mat Mass)159 PetscErrorCode gridToParticles(const DM dm, DM sw, const Vec rhs, Vec work_ferhs, Mat M_p, Mat Mass)
160 {
161   PetscBool    is_lsqr;
162   KSP          ksp;
163   Mat          PM_p = NULL, MtM, D = NULL;
164   Vec          ff;
165   PetscInt     N, M, nzl;
166   MatShellCtx *matshellctx = NULL;
167   PC           pc;
168 
169   PetscFunctionBeginUser;
170   // 1) apply M in, for Moore-Penrose with mass: Mp (Mp' Mp)^-1 M
171   PetscCall(MatMult(Mass, rhs, work_ferhs));
172   // 2) pseudo-inverse, first part: (Mp' Mp)^-1
173   PetscCall(KSPCreate(PETSC_COMM_SELF, &ksp));
174   PetscCall(KSPSetType(ksp, KSPCG));
175   PetscCall(KSPGetPC(ksp, &pc));
176   PetscCall(PCSetType(pc, PCJACOBI));
177   PetscCall(KSPSetOptionsPrefix(ksp, "ftop_"));
178   PetscCall(KSPSetFromOptions(ksp));
179   PetscCall(PetscObjectTypeCompare((PetscObject)ksp, KSPLSQR, &is_lsqr));
180   if (!is_lsqr) {
181     PetscCall(MatGetLocalSize(M_p, &M, &N));
182     if (N > M) {
183       PetscCall(PetscInfo(ksp, " M (%" PetscInt_FMT ") < M (%" PetscInt_FMT ") more vertices than particles: revert to lsqr\n", M, N));
184       is_lsqr = PETSC_TRUE;
185       PetscCall(KSPSetType(ksp, KSPLSQR));
186       PetscCall(PCSetType(pc, PCNONE)); // should not happen, but could solve stable (Mp^T Mp), move projection Mp before solve
187     } else {
188       PetscCall(PetscNew(&matshellctx));
189       PetscCall(MatCreateVecs(M_p, &matshellctx->uu, &matshellctx->ff));
190       if (0) {
191         PetscCall(MatTransposeMatMult(M_p, M_p, MAT_INITIAL_MATRIX, 4, &MtM));
192         PetscCall(KSPSetOperators(ksp, MtM, MtM));
193         PetscCall(PetscInfo(M_p, "createMtM KSP with explicit Mp'Mp\n"));
194         PetscCall(MatViewFromOptions(MtM, NULL, "-ftop2_MtM_mat_view"));
195       } else {
196         PetscCall(MatCreateShell(PetscObjectComm((PetscObject)dm), N, N, PETSC_DECIDE, PETSC_DECIDE, matshellctx, &MtM));
197         PetscCall(MatTranspose(M_p, MAT_INITIAL_MATRIX, &matshellctx->MpTrans));
198         matshellctx->Mp = M_p;
199         PetscCall(MatShellSetOperation(MtM, MATOP_MULT, (PetscErrorCodeFn *)MatMultMtM_SeqAIJ));
200         PetscCall(MatShellSetOperation(MtM, MATOP_MULT_ADD, (PetscErrorCodeFn *)MatMultAddMtM_SeqAIJ));
201         PetscCall(MatCreateSeqAIJ(PETSC_COMM_SELF, N, N, 1, NULL, &D));
202         PetscCall(MatViewFromOptions(matshellctx->MpTrans, NULL, "-ftop2_MpT_mat_view"));
203         for (PetscInt i = 0; i < N; i++) {
204           const PetscScalar *vals;
205           const PetscInt    *cols;
206           PetscScalar        dot = 0;
207           PetscCall(MatGetRow(matshellctx->MpTrans, i, &nzl, &cols, &vals));
208           for (PetscInt ii = 0; ii < nzl; ii++) dot += PetscSqr(vals[ii]);
209           if (dot < PETSC_MACHINE_EPSILON) {
210             PetscCall(PetscInfo(ksp, "empty row in pseudo-inverse %d\n", (int)i));
211             is_lsqr = PETSC_TRUE; // empty rows
212             PetscCall(KSPSetType(ksp, KSPLSQR));
213             PetscCall(PCSetType(pc, PCNONE)); // should not happen, but could solve stable (Mp Mp^T), move projection Mp before solve
214             // clean up
215             PetscCall(MatDestroy(&matshellctx->MpTrans));
216             PetscCall(VecDestroy(&matshellctx->ff));
217             PetscCall(VecDestroy(&matshellctx->uu));
218             PetscCall(MatDestroy(&D));
219             PetscCall(MatDestroy(&MtM));
220             PetscCall(PetscFree(matshellctx));
221             D = NULL;
222             break;
223           }
224           PetscCall(MatSetValue(D, i, i, dot, INSERT_VALUES));
225         }
226         if (D) {
227           PetscCall(MatAssemblyBegin(D, MAT_FINAL_ASSEMBLY));
228           PetscCall(MatAssemblyEnd(D, MAT_FINAL_ASSEMBLY));
229           PetscCall(PetscInfo(M_p, "createMtMKSP Have %" PetscInt_FMT " eqs, nzl = %" PetscInt_FMT "\n", N, nzl));
230           PetscCall(KSPSetOperators(ksp, MtM, D));
231           PetscCall(MatViewFromOptions(D, NULL, "-ftop2_D_mat_view"));
232           PetscCall(MatViewFromOptions(M_p, NULL, "-ftop2_Mp_mat_view"));
233           PetscCall(MatViewFromOptions(matshellctx->MpTrans, NULL, "-ftop2_MpTranspose_mat_view"));
234           PetscCall(MatViewFromOptions(MtM, NULL, "-ftop2_MtM_mat_view"));
235         }
236       }
237     }
238   }
239   if (is_lsqr) {
240     PC        pc2;
241     PetscBool is_bjac;
242     PetscCall(KSPGetPC(ksp, &pc2));
243     PetscCall(PetscObjectTypeCompare((PetscObject)pc2, PCBJACOBI, &is_bjac));
244     if (is_bjac) {
245       PetscCall(DMSwarmCreateMassMatrixSquare(sw, dm, &PM_p));
246       PetscCall(KSPSetOperators(ksp, M_p, PM_p));
247     } else {
248       PetscCall(KSPSetOperators(ksp, M_p, M_p));
249     }
250     PetscCall(MatViewFromOptions(M_p, NULL, "-ftop2_Mp_mat_view"));
251   }
252   PetscCall(DMSwarmCreateGlobalVectorFromField(sw, "w_q", &ff)); // this grabs access
253   if (!is_lsqr) {
254     PetscCall(KSPSolve(ksp, work_ferhs, matshellctx->uu));
255     // 3) with Moore-Penrose apply Mp: M_p (Mp' Mp)^-1 M
256     PetscCall(MatMult(M_p, matshellctx->uu, ff));
257     if (D) PetscCall(MatDestroy(&D));
258     PetscCall(MatDestroy(&MtM));
259     if (matshellctx->MpTrans) PetscCall(MatDestroy(&matshellctx->MpTrans));
260     PetscCall(VecDestroy(&matshellctx->ff));
261     PetscCall(VecDestroy(&matshellctx->uu));
262     PetscCall(PetscFree(matshellctx));
263   } else {
264     // finally with LSQR apply M_p^\dagger
265     PetscCall(KSPSolveTranspose(ksp, work_ferhs, ff));
266   }
267   PetscCall(KSPDestroy(&ksp));
268   PetscCall(MatDestroy(&PM_p));
269   PetscCall(DMSwarmDestroyGlobalVectorFromField(sw, "w_q", &ff));
270   PetscFunctionReturn(PETSC_SUCCESS);
271 }
272 
273 #define EX30_MAX_NUM_THRDS 12
274 #define EX30_MAX_BATCH_SZ  1024
275 //
276 // add grid to arg 'globSwarmArray[].w_q'
277 //
gridToParticles_private(DM grid_dm[],DM globSwarmArray[],const PetscInt dim,const PetscInt v_target,const PetscInt numthreads,const PetscInt num_vertices,const PetscInt global_vertex_id,Mat globMpArray[],Mat g_Mass[],Vec t_fhat[][EX30_MAX_NUM_THRDS],PetscReal moments[],Vec globXArray[],LandauCtx * ctx)278 PetscErrorCode gridToParticles_private(DM grid_dm[], DM globSwarmArray[], const PetscInt dim, const PetscInt v_target, const PetscInt numthreads, const PetscInt num_vertices, const PetscInt global_vertex_id, Mat globMpArray[], Mat g_Mass[], Vec t_fhat[][EX30_MAX_NUM_THRDS], PetscReal moments[], Vec globXArray[], LandauCtx *ctx)
279 {
280   PetscErrorCode ierr = (PetscErrorCode)0; // used for inside thread loops
281 
282   PetscFunctionBeginUser;
283   // map back to particles
284   for (PetscInt v_id_0 = 0; v_id_0 < ctx->batch_sz; v_id_0 += numthreads) {
285     PetscCall(PetscInfo(grid_dm[0], "g2p: global batch %" PetscInt_FMT " of %" PetscInt_FMT ", Landau batch %" PetscInt_FMT " of %" PetscInt_FMT ": map back to particles\n", global_vertex_id + 1, num_vertices, v_id_0 + 1, ctx->batch_sz));
286     //PetscPragmaOMP(parallel for)
287     for (PetscInt tid = 0; tid < numthreads; tid++) {
288       const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id + v_id;
289       if (glb_v_id < num_vertices) {
290         for (PetscInt grid = 0; grid < ctx->num_grids; grid++) { // add same particels for all grids
291           PetscErrorCode ierr_t;
292           ierr_t = PetscInfo(grid_dm[0], "gridToParticles: global batch %" PetscInt_FMT ", local batch b=%" PetscInt_FMT ", grid g=%" PetscInt_FMT ", index(b,g) %" PetscInt_FMT "\n", global_vertex_id, v_id, grid, LAND_PACK_IDX(v_id, grid));
293           ierr_t = gridToParticles(grid_dm[grid], globSwarmArray[LAND_PACK_IDX(v_id, grid)], globXArray[LAND_PACK_IDX(v_id, grid)], t_fhat[grid][tid], globMpArray[LAND_PACK_IDX(v_id, grid)], g_Mass[grid]);
294           if (ierr_t) ierr = ierr_t;
295         }
296       }
297     }
298     PetscCheck(!ierr, PETSC_COMM_WORLD, PETSC_ERR_PLIB, "Error in OMP loop. ierr = %d", (int)ierr);
299     /* Get moments */
300     PetscCall(PetscInfo(grid_dm[0], "Cleanup batches %" PetscInt_FMT " to %" PetscInt_FMT "\n", v_id_0, v_id_0 + numthreads));
301     for (PetscInt tid = 0; tid < numthreads; tid++) {
302       const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id + v_id;
303       if (glb_v_id == v_target) {
304         for (PetscInt grid = 0; grid < ctx->num_grids; grid++) {
305           PetscDataType dtype;
306           PetscReal    *wp, *coords;
307           DM            sw = globSwarmArray[LAND_PACK_IDX(v_id, grid)];
308           PetscInt      npoints, bs = 1;
309           PetscCall(DMSwarmGetField(sw, "w_q", &bs, &dtype, (void **)&wp)); // take data out here
310           PetscCall(DMSwarmGetField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
311           PetscCall(DMSwarmGetLocalSize(sw, &npoints));
312           for (PetscInt p = 0; p < npoints; p++) {
313             PetscReal v2 = 0, fact = (dim == 2) ? 2.0 * PETSC_PI * coords[p * dim + 0] : 1, w = fact * wp[p] * ctx->n_0 * ctx->masses[ctx->species_offset[grid]];
314             for (PetscInt i = 0; i < dim; ++i) v2 += PetscSqr(coords[p * dim + i]);
315             moments[0] += w;
316             moments[1] += w * ctx->v_0 * coords[p * dim + 1]; // z-momentum
317             moments[2] += w * 0.5 * ctx->v_0 * ctx->v_0 * v2;
318           }
319           PetscCall(DMSwarmRestoreField(sw, "w_q", &bs, &dtype, (void **)&wp));
320           PetscCall(DMSwarmRestoreField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
321         }
322         const PetscReal N_inv = 1 / moments[0];
323         PetscCall(PetscInfo(grid_dm[0], "gridToParticles_private [%" PetscInt_FMT "], n = %g\n", v_id, (double)moments[0]));
324         for (PetscInt grid = 0; grid < ctx->num_grids; grid++) {
325           PetscDataType dtype;
326           PetscReal    *wp, *coords;
327           DM            sw = globSwarmArray[LAND_PACK_IDX(v_id, grid)];
328           PetscInt      npoints, bs = 1;
329           PetscCall(DMSwarmGetField(sw, "w_q", &bs, &dtype, (void **)&wp)); // take data out here
330           PetscCall(DMSwarmGetField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
331           PetscCall(DMSwarmGetLocalSize(sw, &npoints));
332           for (PetscInt p = 0; p < npoints; p++) {
333             const PetscReal fact = dim == 2 ? 2.0 * PETSC_PI * coords[p * dim + 0] : 1, w = fact * wp[p] * ctx->n_0 * ctx->masses[ctx->species_offset[grid]], ww = w * N_inv;
334             if (w > PETSC_REAL_MIN) {
335               moments[3] -= ww * PetscLogReal(ww);
336               PetscCheck(ww < 1 - PETSC_MACHINE_EPSILON, PETSC_COMM_WORLD, PETSC_ERR_PLIB, "ww (%g) > 1", (double)ww);
337             } else moments[4] -= w; // keep track of density that is lost
338           }
339           PetscCall(DMSwarmRestoreField(sw, "w_q", &bs, &dtype, (void **)&wp));
340           PetscCall(DMSwarmRestoreField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
341         }
342       }
343     } // thread batch
344   } // batch
345   PetscFunctionReturn(PETSC_SUCCESS);
346 }
347 
maxwellian(PetscInt dim,const PetscReal x[],PetscReal kt_m,PetscReal n,PetscReal shift,PetscScalar * u)348 static void maxwellian(PetscInt dim, const PetscReal x[], PetscReal kt_m, PetscReal n, PetscReal shift, PetscScalar *u)
349 {
350   PetscInt  i;
351   PetscReal v2 = 0, theta = 2.0 * kt_m; /* theta = 2kT/mc^2 */
352 
353   if (shift != 0.) {
354     v2 = 0;
355     for (i = 0; i < dim - 1; ++i) v2 += x[i] * x[i];
356     v2 += (x[dim - 1] - shift) * (x[dim - 1] - shift);
357     /* evaluate the shifted Maxwellian */
358     u[0] += n * PetscPowReal(PETSC_PI * theta, -1.5) * (PetscExpReal(-v2 / theta));
359   } else {
360     /* compute the exponents, v^2 */
361     for (i = 0; i < dim; ++i) v2 += x[i] * x[i];
362     /* evaluate the Maxwellian */
363     u[0] += n * PetscPowReal(PETSC_PI * theta, -1.5) * (PetscExpReal(-v2 / theta));
364   }
365 }
366 
PostStep(TS ts)367 static PetscErrorCode PostStep(TS ts)
368 {
369   PetscInt   n, dim, nDMs, v_id;
370   PetscReal  t;
371   LandauCtx *ctx;
372   Vec        X;
373   PrintCtx  *printCtx;
374   DM         pack;
375   PetscReal  moments[5], e_grid[LANDAU_MAX_GRIDS];
376 
377   PetscFunctionBeginUser;
378   PetscCall(TSGetApplicationContext(ts, &printCtx));
379   if (!printCtx->print && !printCtx->print_entropy) PetscFunctionReturn(PETSC_SUCCESS);
380   ctx = printCtx->ctx;
381   if (printCtx->v_target < printCtx->global_vertex_id_0 || printCtx->v_target >= printCtx->global_vertex_id_0 + ctx->batch_sz) PetscFunctionReturn(PETSC_SUCCESS);
382   for (PetscInt i = 0; i < 5; i++) moments[i] = 0;
383   for (PetscInt i = 0; i < LANDAU_MAX_GRIDS; i++) e_grid[i] = 0;
384   v_id = printCtx->v_target % ctx->batch_sz;
385   PetscCall(TSGetDM(ts, &pack));
386   PetscCall(DMGetDimension(pack, &dim));
387   PetscCall(DMCompositeGetNumberDM(pack, &nDMs)); // number of vertices * number of grids
388   PetscCall(TSGetSolution(ts, &X));
389   PetscCall(TSGetStepNumber(ts, &n));
390   PetscCall(TSGetTime(ts, &t));
391   PetscCall(DMCompositeGetAccessArray(pack, X, nDMs, NULL, printCtx->globXArray));
392   if (printCtx->print_entropy && printCtx->v_target >= 0 && 0) {
393     for (PetscInt grid = 0; grid < ctx->num_grids; grid++) {
394       PetscDataType dtype;
395       PetscReal    *wp, *coords;
396       DM            sw = printCtx->globSwarmArray[LAND_PACK_IDX(v_id, grid)];
397       Vec           work, subX = printCtx->globXArray[LAND_PACK_IDX(v_id, grid)];
398       PetscInt      bs, NN;
399       // C-G moments
400       PetscCall(VecDuplicate(subX, &work));
401       PetscCall(gridToParticles(printCtx->grid_dm[grid], sw, subX, work, printCtx->globMpArray[LAND_PACK_IDX(v_id, grid)], printCtx->g_Mass[grid]));
402       PetscCall(VecDestroy(&work));
403       // moments
404       PetscCall(DMSwarmGetField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
405       PetscCall(DMSwarmGetLocalSize(sw, &NN));
406       PetscCall(DMSwarmGetField(sw, "w_q", &bs, &dtype, (void **)&wp));
407       for (PetscInt pp = 0; pp < NN; pp++) {
408         PetscReal v2 = 0, fact = (dim == 2) ? 2.0 * PETSC_PI * coords[pp * dim + 0] : 1, w = fact * wp[pp] * ctx->n_0 * ctx->masses[ctx->species_offset[grid]];
409         for (PetscInt i = 0; i < dim; ++i) v2 += PetscSqr(coords[pp * dim + i]);
410         moments[0] += w;
411         moments[1] += w * ctx->v_0 * coords[pp * dim + 1]; // z-momentum
412         moments[2] += w * 0.5 * ctx->v_0 * ctx->v_0 * v2;
413         e_grid[grid] += w * 0.5 * ctx->v_0 * ctx->v_0 * v2;
414       }
415       PetscCall(DMSwarmRestoreField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
416       PetscCall(DMSwarmRestoreField(sw, "w_q", &bs, &dtype, (void **)&wp));
417     }
418     // entropy
419     const PetscReal N_inv = 1 / moments[0];
420     for (PetscInt grid = 0; grid < ctx->num_grids; grid++) {
421       PetscDataType dtype;
422       PetscReal    *wp, *coords;
423       DM            sw = printCtx->globSwarmArray[LAND_PACK_IDX(v_id, grid)];
424       PetscInt      bs, NN;
425       PetscCall(DMSwarmGetField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
426       PetscCall(DMSwarmGetLocalSize(sw, &NN));
427       PetscCall(DMSwarmGetField(sw, "w_q", &bs, &dtype, (void **)&wp));
428       for (PetscInt pp = 0; pp < NN; pp++) {
429         PetscReal fact = (dim == 2) ? 2.0 * PETSC_PI * coords[pp * dim + 0] : 1, w = fact * wp[pp] * ctx->n_0 * ctx->masses[ctx->species_offset[grid]], ww = w * N_inv;
430         if (w > PETSC_REAL_MIN) {
431           moments[3] -= ww * PetscLogReal(ww);
432         } else moments[4] -= w;
433       }
434       PetscCall(DMSwarmRestoreField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
435       PetscCall(DMSwarmRestoreField(sw, "w_q", &bs, &dtype, (void **)&wp));
436     }
437     PetscCall(PetscInfo(X, "%4d) time %e, Landau particle moments: 0: %18.12e 1: %19.12e 2: %18.12e entropy: %e loss %e. energy = %e + %e + %e\n", (int)n, (double)t, (double)moments[0], (double)moments[1], (double)moments[2], (double)moments[3], (double)(moments[4] / moments[0]), (double)e_grid[0], (double)e_grid[1], (double)e_grid[2]));
438   }
439   if (printCtx->print && printCtx->g_target >= 0) {
440     PetscInt         grid   = printCtx->g_target, id;
441     static PetscReal last_t = -100000, period = .5;
442     if (last_t == -100000) last_t = -period + t;
443     if (t >= last_t + period) {
444       last_t = t;
445       PetscCall(DMGetOutputSequenceNumber(ctx->plex[grid], &id, NULL));
446       PetscCall(DMSetOutputSequenceNumber(ctx->plex[grid], id + 1, t));
447       PetscCall(VecViewFromOptions(printCtx->globXArray[LAND_PACK_IDX(v_id % ctx->batch_sz, grid)], NULL, "-ex30_vec_view"));
448       if (ctx->num_grids > grid + 1) {
449         PetscCall(DMSetOutputSequenceNumber(ctx->plex[grid + 1], id + 1, t));
450         PetscCall(VecViewFromOptions(printCtx->globXArray[LAND_PACK_IDX(v_id % ctx->batch_sz, grid + 1)], NULL, "-ex30_vec_view2"));
451       }
452       PetscCall(PetscInfo(X, "%4d) time %e View\n", (int)n, (double)t));
453     }
454   }
455   PetscCall(DMCompositeRestoreAccessArray(pack, X, nDMs, NULL, printCtx->globXArray));
456   PetscFunctionReturn(PETSC_SUCCESS);
457 }
458 
go(TS ts,Vec X,const PetscInt num_vertices,const PetscInt a_Np,const PetscInt dim,const PetscInt v_target,const PetscInt g_target,PetscReal shift,PetscBool use_uniform_particle_grid)459 PetscErrorCode go(TS ts, Vec X, const PetscInt num_vertices, const PetscInt a_Np, const PetscInt dim, const PetscInt v_target, const PetscInt g_target, PetscReal shift, PetscBool use_uniform_particle_grid)
460 {
461   DM             pack, *globSwarmArray, grid_dm[LANDAU_MAX_GRIDS];
462   Mat           *globMpArray, g_Mass[LANDAU_MAX_GRIDS];
463   KSP            t_ksp[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS];
464   Vec            t_fhat[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS];
465   PetscInt       nDMs;
466   PetscErrorCode ierr = (PetscErrorCode)0; // used for inside thread loops
467 #if defined(PETSC_HAVE_OPENMP) && defined(PETSC_HAVE_THREADSAFETY)
468   PetscInt numthreads = PetscNumOMPThreads;
469 #else
470   PetscInt numthreads = 1;
471 #endif
472   LandauCtx *ctx;
473   Vec       *globXArray;
474   PetscReal  moments_0[5], moments_1a[5], moments_1b[5], dt_init;
475   PrintCtx  *printCtx;
476 
477   PetscFunctionBeginUser;
478   PetscCheck(numthreads <= EX30_MAX_NUM_THRDS, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "Too many threads %" PetscInt_FMT " > %d", numthreads, EX30_MAX_NUM_THRDS);
479   PetscCheck(numthreads > 0, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "Number threads %" PetscInt_FMT " > %d", numthreads, EX30_MAX_NUM_THRDS);
480   PetscCall(TSGetDM(ts, &pack));
481   PetscCall(DMGetApplicationContext(pack, &ctx));
482   PetscCheck(ctx->batch_sz % numthreads == 0, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "batch size (-dm_landau_batch_size) %" PetscInt_FMT "  mod #threads %" PetscInt_FMT " must equal zero", ctx->batch_sz, numthreads);
483   PetscCall(DMCompositeGetNumberDM(pack, &nDMs)); // number of vertices * number of grids
484   PetscCall(PetscInfo(pack, "Have %" PetscInt_FMT " total grids, with %" PetscInt_FMT " Landau local batched and %" PetscInt_FMT " global items (vertices) %d DMs\n", ctx->num_grids, ctx->batch_sz, num_vertices, (int)nDMs));
485   PetscCall(PetscMalloc(sizeof(*globXArray) * nDMs, &globXArray));
486   PetscCall(PetscMalloc(sizeof(*globMpArray) * nDMs, &globMpArray));
487   PetscCall(PetscMalloc(sizeof(*globSwarmArray) * nDMs, &globSwarmArray));
488   // print ctx
489   PetscCall(PetscNew(&printCtx));
490   PetscCall(TSSetApplicationContext(ts, printCtx));
491   printCtx->v_target       = v_target;
492   printCtx->g_target       = g_target;
493   printCtx->ctx            = ctx;
494   printCtx->globSwarmArray = globSwarmArray;
495   printCtx->grid_dm        = grid_dm;
496   printCtx->globMpArray    = globMpArray;
497   printCtx->g_Mass         = g_Mass;
498   printCtx->globXArray     = globXArray;
499   printCtx->print_entropy  = PETSC_FALSE;
500   PetscOptionsBegin(PETSC_COMM_SELF, "", "Print Options", "DMPLEX");
501   PetscCall(PetscOptionsBool("-print_entropy", "Print entropy and moments at each time step", "ex30.c", printCtx->print_entropy, &printCtx->print_entropy, NULL));
502   PetscOptionsEnd();
503   // view
504   PetscCall(DMViewFromOptions(ctx->plex[g_target], NULL, "-ex30_dm_view"));
505   if (ctx->num_grids > g_target + 1) PetscCall(DMViewFromOptions(ctx->plex[g_target + 1], NULL, "-ex30_dm_view2"));
506   // create mesh mass matrices
507   PetscCall(VecZeroEntries(X));
508   PetscCall(DMCompositeGetAccessArray(pack, X, nDMs, NULL, globXArray)); // just to duplicate
509   for (PetscInt grid = 0; grid < ctx->num_grids; grid++) {               // add same particels for all grids
510     Vec          subX = globXArray[LAND_PACK_IDX(0, grid)];
511     DM           dm   = ctx->plex[grid];
512     PetscSection s;
513     grid_dm[grid] = dm;
514     PetscCall(DMCreateMassMatrix(dm, dm, &g_Mass[grid]));
515     //
516     PetscCall(DMGetLocalSection(dm, &s));
517     PetscCall(DMPlexCreateClosureIndex(dm, s));
518     for (PetscInt tid = 0; tid < numthreads; tid++) {
519       PC pc;
520       PetscCall(VecDuplicate(subX, &t_fhat[grid][tid]));
521       PetscCall(KSPCreate(PETSC_COMM_SELF, &t_ksp[grid][tid]));
522       PetscCall(KSPSetType(t_ksp[grid][tid], KSPCG));
523       PetscCall(KSPGetPC(t_ksp[grid][tid], &pc));
524       PetscCall(PCSetType(pc, PCJACOBI));
525       PetscCall(KSPSetOptionsPrefix(t_ksp[grid][tid], "ptof_"));
526       PetscCall(KSPSetOperators(t_ksp[grid][tid], g_Mass[grid], g_Mass[grid]));
527       PetscCall(KSPSetFromOptions(t_ksp[grid][tid]));
528     }
529   }
530   PetscCall(DMCompositeRestoreAccessArray(pack, X, nDMs, NULL, globXArray));
531   PetscCall(TSGetTimeStep(ts, &dt_init)); // we could have an adaptive time stepper
532   // loop over all vertices in chucks that are batched for TSSolve
533   for (PetscInt i = 0; i < 5; i++) moments_0[i] = moments_1a[i] = moments_1b[i] = 0;
534   for (PetscInt global_vertex_id_0 = 0; global_vertex_id_0 < num_vertices; global_vertex_id_0 += ctx->batch_sz, shift /= 2) { // outer vertex loop
535     PetscCall(TSSetTime(ts, 0));
536     PetscCall(TSSetStepNumber(ts, 0));
537     PetscCall(TSSetTimeStep(ts, dt_init));
538     PetscCall(DMCompositeGetAccessArray(pack, X, nDMs, NULL, globXArray));
539     printCtx->global_vertex_id_0 = global_vertex_id_0;
540     if (v_target >= global_vertex_id_0 && v_target < global_vertex_id_0 + ctx->batch_sz) {
541       PetscCall(PetscObjectSetName((PetscObject)globXArray[LAND_PACK_IDX(v_target % ctx->batch_sz, g_target)], "rho"));
542       printCtx->print = PETSC_TRUE;
543     } else printCtx->print = PETSC_FALSE;
544     // create fake particles in batches with threads
545     for (PetscInt v_id_0 = 0; v_id_0 < ctx->batch_sz; v_id_0 += numthreads) {
546       PetscReal *xx_t[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS], *yy_t[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS], *zz_t[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS], *wp_t[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS] /* , radiuses[80000] */;
547       PetscInt   Np_t[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS];
548       // make particles
549       for (PetscInt tid = 0; tid < numthreads; tid++) {
550         const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
551         if (glb_v_id < num_vertices) {                                                     // the ragged edge (in last batch)
552           PetscInt Npp0 = a_Np + (glb_v_id % (a_Np / 10 + 1)), nTargetP[LANDAU_MAX_GRIDS]; // n of particels in each dim with load imbalance
553           for (PetscInt grid = 0; grid < ctx->num_grids; grid++) {                         // add same particels for all grids
554             // for (PetscInt sp = ctx->species_offset[grid], i0 = 0; sp < ctx->species_offset[grid + 1]; sp++, i0++) {
555             const PetscReal kT_m  = ctx->k * ctx->thermal_temps[ctx->species_offset[grid]] / ctx->masses[ctx->species_offset[grid]] / (ctx->v_0 * ctx->v_0);                      /* theta = 2kT/mc^2 per species */
556             PetscReal       lo[3] = {-ctx->radius[grid], -ctx->radius[grid], -ctx->radius[grid]}, hi[3] = {ctx->radius[grid], ctx->radius[grid], ctx->radius[grid]}, hp[3], vole; // would be nice to get box from DM
557             PetscInt        Npi = Npp0, Npj = 2 * Npp0, Npk = 1;
558             PetscRandom     rand;
559             PetscReal       sigma = ctx->thermal_speed[grid] / ctx->thermal_speed[0], p2_shift = grid == 0 ? shift : -shift; // symmetric shift of e vs ions
560             PetscCall(PetscRandomCreate(PETSC_COMM_SELF, &rand));
561             PetscCall(PetscRandomSetInterval(rand, 0., 1.));
562             PetscCall(PetscRandomSetFromOptions(rand));
563             if (dim == 2) lo[0] = 0; // Landau coordinate (r,z)
564             else Npi = Npj = Npk = Npp0;
565             // User: use glb_v_id to index into your data
566             const PetscInt NNreal = Npi * Npj * Npk, NN = NNreal + (dim == 2 ? 3 : 6); // make room for bounding box
567             Np_t[grid][tid] = NN;
568             if (glb_v_id == v_target) nTargetP[grid] = NN;
569             PetscCall(PetscMalloc4(NN, &xx_t[grid][tid], NN, &yy_t[grid][tid], NN, &wp_t[grid][tid], dim == 2 ? 1 : NN, &zz_t[grid][tid]));
570             hp[0] = (hi[0] - lo[0]) / Npi;
571             hp[1] = (hi[1] - lo[1]) / Npj;
572             hp[2] = (hi[2] - lo[2]) / Npk;
573             if (dim == 2) hp[2] = 1;
574             PetscCall(PetscInfo(pack, " lo = %14.7e, hi = %14.7e; hp = %14.7e, %14.7e; kT_m = %g; \n", (double)lo[1], (double)hi[1], (double)hp[0], (double)hp[1], (double)kT_m)); // temp
575             vole = hp[0] * hp[1] * hp[2] * ctx->n[grid];                                                                                                                           // fix for multi-species
576             PetscCall(PetscInfo(pack, "Vertex %" PetscInt_FMT ", grid %" PetscInt_FMT " with %" PetscInt_FMT " particles (diagnostic target = %" PetscInt_FMT ")\n", glb_v_id, grid, NN, v_target));
577             for (PetscInt pj = 0, pp = 0; pj < Npj; pj++) {
578               for (PetscInt pk = 0; pk < Npk; pk++) {
579                 for (PetscInt pi = 0; pi < Npi; pi++, pp++) {
580                   PetscReal p_shift   = p2_shift;
581                   wp_t[grid][tid][pp] = 0;
582                   if (use_uniform_particle_grid) {
583                     xx_t[grid][tid][pp] = lo[0] + hp[0] / 2.0 + pi * hp[0];
584                     yy_t[grid][tid][pp] = lo[1] + hp[1] / 2.0 + pj * hp[1];
585                     if (dim == 3) zz_t[grid][tid][pp] = lo[2] + hp[2] / 2.0 + pk * hp[2];
586                     PetscReal x[] = {xx_t[grid][tid][pp], yy_t[grid][tid][pp], dim == 2 ? 0 : zz_t[grid][tid][pp]};
587                     p_shift *= ctx->thermal_speed[grid] / ctx->v_0;
588                     if (ctx->sphere && PetscSqrtReal(PetscSqr(xx_t[grid][tid][pp]) + PetscSqr(yy_t[grid][tid][pp])) > 0.92 * hi[0]) {
589                       wp_t[grid][tid][pp] = 0;
590                     } else {
591                       maxwellian(dim, x, kT_m, vole, p_shift, &wp_t[grid][tid][pp]);
592                       if (ctx->num_grids == 1 && shift != 0) {                          // bi-maxwellian, electron plasma
593                         maxwellian(dim, x, kT_m, vole, -p_shift, &wp_t[grid][tid][pp]); // symmetric shift of electron plasma
594                       }
595                     }
596                   } else {
597                     PetscReal u1, u2;
598                     do {
599                       do {
600                         PetscCall(PetscRandomGetValueReal(rand, &u1));
601                       } while (u1 == 0);
602                       PetscCall(PetscRandomGetValueReal(rand, &u2));
603                       //compute z0 and z1
604                       PetscReal mag       = sigma * PetscSqrtReal(-2.0 * PetscLogReal(u1)); // is this the same scale grid Maxwellian? t_therm = sigma
605                       xx_t[grid][tid][pp] = mag * PetscCosReal(2.0 * PETSC_PI * u2);
606                       yy_t[grid][tid][pp] = mag * PetscSinReal(2.0 * PETSC_PI * u2);
607                       if (dim == 2 && xx_t[grid][tid][pp] < lo[0]) xx_t[grid][tid][pp] = -xx_t[grid][tid][pp];
608                       if (dim == 3) zz_t[grid][tid][pp] = lo[2] + hp[2] / 2.0 + pk * hp[2];
609                       if (!ctx->sphere) {
610                         if (dim == 2 && xx_t[grid][tid][pp] < 0) xx_t[grid][tid][pp] = -xx_t[grid][tid][pp]; // ???
611                         else if (dim == 3) {
612                           while (zz_t[grid][tid][pp] >= hi[2] || zz_t[grid][tid][pp] <= lo[2]) zz_t[grid][tid][pp] *= .9;
613                         }
614                         while (xx_t[grid][tid][pp] >= hi[0] || xx_t[grid][tid][pp] <= lo[0]) xx_t[grid][tid][pp] *= .9;
615                         while (yy_t[grid][tid][pp] >= hi[1] || yy_t[grid][tid][pp] <= lo[1]) yy_t[grid][tid][pp] *= .9;
616                       } else { // 2D
617                         //if (glb_v_id == v_target && pp < 80000) radiuses[pp] = PetscSqrtReal(PetscSqr(xx_t[grid][tid][pp]) + PetscSqr(yy_t[grid][tid][pp]));
618                         while (PetscSqrtReal(PetscSqr(xx_t[grid][tid][pp]) + PetscSqr(yy_t[grid][tid][pp])) > 0.92 * hi[0]) { // safety factor for facets of sphere
619                           xx_t[grid][tid][pp] *= .9;
620                           yy_t[grid][tid][pp] *= .9;
621                         }
622                       }
623                       if (ctx->num_grids == 1 && pp % 2 == 0) p_shift = 0; // one species, split bi-max
624                       p_shift *= ctx->thermal_speed[grid] / ctx->v_0;
625                       if (dim == 3) zz_t[grid][tid][pp] += p_shift;
626                       else yy_t[grid][tid][pp] += p_shift;
627                       wp_t[grid][tid][pp] += ctx->n[grid] / NNreal * PetscSqrtReal(ctx->masses[ctx->species_offset[grid]] / ctx->masses[0]);
628                       if (p_shift <= 0) break; // add bi-max for electron plasma only
629                       p_shift = -p_shift;
630                     } while (ctx->num_grids == 1); // add bi-max for electron plasma only
631                   }
632                   {
633                     if (glb_v_id == v_target) {
634                       PetscReal x[] = {xx_t[grid][tid][pp], yy_t[grid][tid][pp], dim == 2 ? 0 : zz_t[grid][tid][pp]};
635                       PetscReal v2 = 0, fact = dim == 2 ? 2.0 * PETSC_PI * x[0] : 1, w = fact * wp_t[grid][tid][pp] * ctx->n_0 * ctx->masses[ctx->species_offset[grid]];
636                       for (PetscInt i = 0; i < dim; ++i) v2 += PetscSqr(x[i]);
637                       moments_0[0] += w;                   // not thread safe
638                       moments_0[1] += w * ctx->v_0 * x[1]; // z-momentum
639                       moments_0[2] += w * 0.5 * ctx->v_0 * ctx->v_0 * v2;
640                     }
641                   }
642                 }
643               }
644             }
645             if (dim == 2) { // fix bounding box
646               PetscInt pp           = NNreal;
647               wp_t[grid][tid][pp]   = 0;
648               xx_t[grid][tid][pp]   = 1.e-7;
649               yy_t[grid][tid][pp++] = hi[1] - 5.e-7;
650               wp_t[grid][tid][pp]   = 0;
651               xx_t[grid][tid][pp]   = hi[0] - 5.e-7;
652               yy_t[grid][tid][pp++] = 0;
653               wp_t[grid][tid][pp]   = 0;
654               xx_t[grid][tid][pp]   = 1.e-7;
655               yy_t[grid][tid][pp++] = lo[1] + 5.e-7;
656             } else {
657               const PetscInt p0 = NNreal;
658               for (PetscInt pj = 0; pj < 6; pj++) xx_t[grid][tid][p0 + pj] = yy_t[grid][tid][p0 + pj] = zz_t[grid][tid][p0 + pj] = wp_t[grid][tid][p0 + pj] = 0;
659               xx_t[grid][tid][p0 + 0] = lo[0];
660               xx_t[grid][tid][p0 + 1] = hi[0];
661               yy_t[grid][tid][p0 + 2] = lo[1];
662               yy_t[grid][tid][p0 + 3] = hi[1];
663               zz_t[grid][tid][p0 + 4] = lo[2];
664               zz_t[grid][tid][p0 + 5] = hi[2];
665             }
666             PetscCall(PetscRandomDestroy(&rand));
667           }
668           // entropy init, need global n
669           if (glb_v_id == v_target) {
670             const PetscReal N_inv = 1 / moments_0[0];
671             PetscCall(PetscInfo(pack, "Target %" PetscInt_FMT " with %" PetscInt_FMT " particels\n", glb_v_id, nTargetP[0]));
672             for (PetscInt grid = 0; grid < ctx->num_grids; grid++) {
673               const PetscInt NN = nTargetP[grid];
674               for (PetscInt pp = 0; pp < NN; pp++) {
675                 const PetscReal fact = dim == 2 ? 2.0 * PETSC_PI * xx_t[grid][tid][pp] : 1, w = fact * ctx->n_0 * ctx->masses[ctx->species_offset[grid]] * wp_t[grid][tid][pp], ww = w * N_inv;
676                 if (w > PETSC_REAL_MIN) {
677                   moments_0[3] -= ww * PetscLogReal(ww);
678                   PetscCheck(ww < 1 - PETSC_MACHINE_EPSILON, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "ww (%g) > 1", (double)ww);
679                 } else moments_0[4] -= w;
680               }
681             } // grid
682           } // target
683         } // active
684       } // threads
685       /* Create particle swarm */
686       for (PetscInt tid = 0; tid < numthreads; tid++) {
687         const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
688         if (glb_v_id < num_vertices) {                             // the ragged edge of the last batch
689           for (PetscInt grid = 0; grid < ctx->num_grids; grid++) { // add same particels for all grids
690             PetscSection section;
691             PetscInt     Nf;
692             DM           dm = grid_dm[grid];
693             PetscCall(DMGetLocalSection(dm, &section));
694             PetscCall(PetscSectionGetNumFields(section, &Nf));
695             PetscCheck(Nf == 1, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "Only one species per grid supported -- todo");
696             PetscCall(DMViewFromOptions(dm, NULL, "-dm_view"));
697             PetscCall(PetscInfo(pack, "call createSwarm [%" PetscInt_FMT ".%" PetscInt_FMT "] local block index %" PetscInt_FMT "\n", v_id, grid, LAND_PACK_IDX(v_id, grid)));
698             PetscCall(createSwarm(dm, dim, &globSwarmArray[LAND_PACK_IDX(v_id, grid)]));
699           }
700         } // active
701       } // threads
702       PetscCheck(ierr != 9999, PETSC_COMM_WORLD, PETSC_ERR_PLIB, "Only support one species per grid");
703       // make globMpArray
704       PetscPragmaOMP(parallel for)
705       for (PetscInt tid = 0; tid < numthreads; tid++) {
706         const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
707         if (glb_v_id < num_vertices) {
708           for (PetscInt grid = 0; grid < ctx->num_grids; grid++) { // add same particels for all grids
709             // for (PetscInt sp = ctx->species_offset[grid], i0 = 0; sp < ctx->species_offset[grid + 1]; sp++, i0++) -- loop over species for Nf > 1 -- TODO
710             PetscErrorCode ierr_t;
711             DM             sw = globSwarmArray[LAND_PACK_IDX(v_id, grid)];
712             ierr_t            = PetscInfo(pack, "makeSwarm %" PetscInt_FMT ".%" PetscInt_FMT ") for block %" PetscInt_FMT "\n", v_id, grid, LAND_PACK_IDX(v_id, grid));
713             ierr_t            = makeSwarm(sw, dim, Np_t[grid][tid], xx_t[grid][tid], yy_t[grid][tid], zz_t[grid][tid]);
714             if (ierr_t) ierr = ierr_t;
715           }
716         }
717       }
718       for (PetscInt tid = 0; tid < numthreads; tid++) {
719         const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
720         if (glb_v_id < num_vertices) {
721           for (PetscInt grid = 0; grid < ctx->num_grids; grid++) { // add same particels for all grids
722             DM dm = grid_dm[grid];
723             DM sw = globSwarmArray[LAND_PACK_IDX(v_id, grid)];
724             PetscCall(PetscInfo(pack, "createMp %" PetscInt_FMT ".%" PetscInt_FMT ") for block %" PetscInt_FMT "\n", v_id, grid, LAND_PACK_IDX(v_id, grid)));
725             PetscCall(createMp(dm, sw, &globMpArray[LAND_PACK_IDX(v_id, grid)]));
726             PetscCall(MatViewFromOptions(globMpArray[LAND_PACK_IDX(v_id, grid)], NULL, "-mp_mat_view"));
727           }
728         }
729       }
730       // p --> g: set X
731       // PetscPragmaOMP(parallel for)
732       for (PetscInt tid = 0; tid < numthreads; tid++) {
733         const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
734         if (glb_v_id < num_vertices) {
735           for (PetscInt grid = 0; grid < ctx->num_grids; grid++) { // add same particels for all grids
736             PetscErrorCode ierr_t;
737             DM             dm   = grid_dm[grid];
738             DM             sw   = globSwarmArray[LAND_PACK_IDX(v_id, grid)];
739             Vec            subX = globXArray[LAND_PACK_IDX(v_id, grid)], work = t_fhat[grid][tid];
740             ierr_t = PetscInfo(pack, "particlesToGrid %" PetscInt_FMT ".%" PetscInt_FMT ") for block %" PetscInt_FMT "\n", v_id, grid, LAND_PACK_IDX(v_id, grid));
741             ierr_t = particlesToGrid(dm, sw, tid, dim, wp_t[grid][tid], subX, globMpArray[LAND_PACK_IDX(v_id, grid)]);
742             if (ierr_t) ierr = ierr_t;
743             // u = M^_1 f_w
744             ierr_t = VecCopy(subX, work);
745             ierr_t = KSPSolve(t_ksp[grid][tid], work, subX);
746             if (ierr_t) ierr = ierr_t;
747           }
748         }
749       }
750       PetscCheck(!ierr, PETSC_COMM_WORLD, PETSC_ERR_PLIB, "Error in OMP loop. ierr = %d", (int)ierr);
751       /* Cleanup */
752       for (PetscInt tid = 0; tid < numthreads; tid++) {
753         const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
754         if (glb_v_id < num_vertices) {
755           for (PetscInt grid = 0; grid < ctx->num_grids; grid++) { // add same particels for all grids
756             PetscCall(PetscFree4(xx_t[grid][tid], yy_t[grid][tid], wp_t[grid][tid], zz_t[grid][tid]));
757           }
758         } // active
759       } // threads
760     } // (fake) particle loop
761     // standard view of initial conditions
762     if (v_target >= global_vertex_id_0 && v_target < global_vertex_id_0 + ctx->batch_sz) {
763       PetscCall(DMSetOutputSequenceNumber(ctx->plex[g_target], 0, 0.0));
764       PetscCall(VecViewFromOptions(globXArray[LAND_PACK_IDX(v_target % ctx->batch_sz, g_target)], NULL, "-ex30_vec_view"));
765       if (ctx->num_grids > g_target + 1) {
766         PetscCall(DMSetOutputSequenceNumber(ctx->plex[g_target + 1], 0, 0.0));
767         PetscCall(VecViewFromOptions(globXArray[LAND_PACK_IDX(v_target % ctx->batch_sz, g_target + 1)], NULL, "-ex30_vec_view2"));
768       }
769       PetscCall(MatViewFromOptions(globMpArray[LAND_PACK_IDX(v_target % ctx->batch_sz, g_target)], NULL, "-ex30_mass_mat_view"));
770       PetscCall(DMViewFromOptions(globSwarmArray[LAND_PACK_IDX(v_target % ctx->batch_sz, g_target)], NULL, "-ex30_sw_view"));
771       PetscCall(DMSwarmViewXDMF(globSwarmArray[LAND_PACK_IDX(v_target % ctx->batch_sz, g_target)], "initial_swarm.xmf")); // writes a file by default!!!
772     }
773     // coarse graining moments_1a, bring f back from grid before advance
774     if (v_target >= global_vertex_id_0 && v_target < global_vertex_id_0 + ctx->batch_sz && printCtx->print_entropy) {
775       const PetscInt v_id = v_target % ctx->batch_sz;
776       for (PetscInt grid = 0; grid < ctx->num_grids; grid++) {
777         PetscDataType dtype;
778         PetscReal    *wp, *coords;
779         DM            sw = globSwarmArray[LAND_PACK_IDX(v_id, grid)];
780         Vec           work, subX = globXArray[LAND_PACK_IDX(v_id, grid)];
781         PetscInt      bs, NN;
782         // C-G moments
783         PetscCall(VecDuplicate(subX, &work));
784         PetscCall(gridToParticles(grid_dm[grid], sw, subX, work, globMpArray[LAND_PACK_IDX(v_id, grid)], g_Mass[grid]));
785         PetscCall(VecDestroy(&work));
786         // moments
787         PetscCall(DMSwarmGetField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
788         PetscCall(DMSwarmGetLocalSize(sw, &NN));
789         PetscCall(DMSwarmGetField(sw, "w_q", &bs, &dtype, (void **)&wp));
790         for (PetscInt pp = 0; pp < NN; pp++) {
791           PetscReal v2 = 0, fact = (dim == 2) ? 2.0 * PETSC_PI * coords[pp * dim + 0] : 1, w = fact * wp[pp] * ctx->n_0 * ctx->masses[ctx->species_offset[grid]];
792           for (PetscInt i = 0; i < dim; ++i) v2 += PetscSqr(coords[pp * dim + i]);
793           moments_1a[0] += w;
794           moments_1a[1] += w * ctx->v_0 * coords[pp * dim + 1]; // z-momentum
795           moments_1a[2] += w * 0.5 * ctx->v_0 * ctx->v_0 * v2;
796         }
797         PetscCall(DMSwarmRestoreField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
798         PetscCall(DMSwarmRestoreField(sw, "w_q", &bs, &dtype, (void **)&wp));
799       }
800       // entropy
801       const PetscReal N_inv = 1 / moments_1a[0];
802       PetscCall(PetscInfo(pack, "Entropy batch %" PetscInt_FMT " of %" PetscInt_FMT ", n = %g\n", v_target, num_vertices, (double)(1 / N_inv)));
803       for (PetscInt grid = 0; grid < ctx->num_grids; grid++) {
804         PetscDataType dtype;
805         PetscReal    *wp, *coords;
806         DM            sw = globSwarmArray[LAND_PACK_IDX(v_id, grid)];
807         PetscInt      bs, NN;
808         PetscCall(DMSwarmGetLocalSize(sw, &NN));
809         PetscCall(DMSwarmGetField(sw, "w_q", &bs, &dtype, (void **)&wp));
810         PetscCall(DMSwarmGetField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
811         for (PetscInt pp = 0; pp < NN; pp++) {
812           PetscReal fact = (dim == 2) ? 2.0 * PETSC_PI * coords[pp * dim + 0] : 1, w = fact * wp[pp] * ctx->n_0 * ctx->masses[ctx->species_offset[grid]], ww = w * N_inv;
813           if (w > PETSC_REAL_MIN) {
814             moments_1a[3] -= ww * PetscLogReal(ww);
815             PetscCheck(ww < 1 - PETSC_MACHINE_EPSILON, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "ww (%g) > 1", (double)ww);
816           } else moments_1a[4] -= w;
817         }
818         PetscCall(DMSwarmRestoreField(sw, "w_q", &bs, &dtype, (void **)&wp));
819         PetscCall(DMSwarmRestoreField(sw, "DMSwarmPIC_coor", &bs, &dtype, (void **)&coords));
820       }
821     }
822     // restore vector
823     PetscCall(DMCompositeRestoreAccessArray(pack, X, nDMs, NULL, globXArray));
824     // view initial grid
825     if (v_target >= global_vertex_id_0 && v_target < global_vertex_id_0 + ctx->batch_sz) PetscCall(DMPlexLandauPrintNorms(X, 0));
826     // advance
827     PetscCall(TSSetSolution(ts, X));
828     PetscCall(PetscInfo(pack, "Advance vertex %" PetscInt_FMT " to %" PetscInt_FMT "\n", global_vertex_id_0, global_vertex_id_0 + ctx->batch_sz));
829     PetscCall(TSSetPostStep(ts, PostStep));
830     PetscCall(PostStep(ts));
831     PetscCall(TSSolve(ts, X));
832     // view
833     PetscCall(DMCompositeGetAccessArray(pack, X, nDMs, NULL, globXArray));
834     if (v_target >= global_vertex_id_0 && v_target < global_vertex_id_0 + ctx->batch_sz) {
835       /* Visualize original particle field */
836       DM  sw = globSwarmArray[LAND_PACK_IDX(v_target % ctx->batch_sz, g_target)];
837       Vec f;
838       PetscCall(DMSetOutputSequenceNumber(sw, 0, 0.0));
839       PetscCall(DMViewFromOptions(grid_dm[g_target], NULL, "-weights_dm_view"));
840       PetscCall(DMViewFromOptions(sw, NULL, "-weights_sw_view"));
841       PetscCall(DMSwarmCreateGlobalVectorFromField(sw, "w_q", &f));
842       PetscCall(PetscObjectSetName((PetscObject)f, "weights"));
843       PetscCall(VecViewFromOptions(f, NULL, "-weights_vec_view"));
844       PetscCall(DMSwarmDestroyGlobalVectorFromField(sw, "w_q", &f));
845       //
846       PetscCall(DMPlexLandauPrintNorms(X, 1));
847     }
848     if (!use_uniform_particle_grid) { // resample to uniform grid
849       for (PetscInt v_id_0 = 0; v_id_0 < ctx->batch_sz; v_id_0 += numthreads) {
850         PetscReal *xx_t[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS], *yy_t[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS], *zz_t[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS], *wp_t[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS];
851         PetscInt   Np_t[LANDAU_MAX_GRIDS][EX30_MAX_NUM_THRDS];
852         for (PetscInt tid = 0; tid < numthreads; tid++) {
853           const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
854           if (glb_v_id < num_vertices) {
855             // create uniform grid w/o weights & smaller
856             PetscInt Npp0 = (a_Np + (glb_v_id % (a_Np / 10 + 1))) / 2, Nv; // 1/2 of uniform particle grid size
857             for (PetscInt grid = 0; grid < ctx->num_grids; grid++) {
858               // for (PetscInt sp = ctx->species_offset[grid], i0 = 0; sp < ctx->species_offset[grid + 1]; sp++, i0++)
859               PetscReal lo[3] = {-ctx->radius[grid], -ctx->radius[grid], -ctx->radius[grid]}, hi[3] = {ctx->radius[grid], ctx->radius[grid], ctx->radius[grid]}, hp[3];
860               PetscInt  Npi = Npp0, Npj = 2 * Npp0, Npk = 1, NN;
861               // delete old particles and particle mass matrix
862               PetscCall(DMDestroy(&globSwarmArray[LAND_PACK_IDX(v_id, grid)]));
863               PetscCall(MatDestroy(&globMpArray[LAND_PACK_IDX(v_id, grid)]));
864               // create fake particles in batches with threads
865               PetscCall(MatGetLocalSize(g_Mass[grid], &Nv, NULL));
866               if (dim == 2) lo[0] = 0;
867               else Npi = Npj = Npk = Npp0;
868               NN = Npi * Npj * Npk + (dim == 2 ? 3 : 6); // make a regular grid of particles Npp x Npp
869               while (Npi * Npj * Npk < Nv) {             // make stable - no LS
870                 Npi++;
871                 Npj++;
872                 Npk++;
873                 NN = Npi * Npj * Npk + (dim == 2 ? 3 : 6);
874               }
875               Np_t[grid][tid] = NN;
876               PetscCall(PetscMalloc4(NN, &xx_t[grid][tid], NN, &yy_t[grid][tid], NN, &wp_t[grid][tid], dim == 2 ? 1 : NN, &zz_t[grid][tid]));
877               hp[0] = (hi[0] - lo[0]) / Npi;
878               hp[1] = (hi[1] - lo[1]) / Npj;
879               hp[2] = (hi[2] - lo[2]) / Npk;
880               if (dim == 2) hp[2] = 1;
881               PetscCall(PetscInfo(pack, "Resampling %d particles, %d vertices\n", (int)NN, (int)Nv)); // temp
882               for (PetscInt pj = 0, pp = 0; pj < Npj; pj++) {
883                 for (PetscInt pk = 0; pk < Npk; pk++) {
884                   for (PetscInt pi = 0; pi < Npi; pi++, pp++) {
885                     wp_t[grid][tid][pp] = 0;
886                     xx_t[grid][tid][pp] = lo[0] + hp[0] / 2.0 + pi * hp[0];
887                     yy_t[grid][tid][pp] = lo[1] + hp[1] / 2.0 + pj * hp[1];
888                     if (dim == 3) zz_t[grid][tid][pp] = lo[2] + hp[2] / 2.0 + pk * hp[2];
889                   }
890                 }
891               }
892               if (dim == 2) { // fix bounding box
893                 PetscInt pp           = NN - 3;
894                 wp_t[grid][tid][pp]   = 0;
895                 xx_t[grid][tid][pp]   = 1.e-7;
896                 yy_t[grid][tid][pp++] = hi[1] - 5.e-7;
897                 wp_t[grid][tid][pp]   = 0;
898                 xx_t[grid][tid][pp]   = hi[0] - 5.e-7;
899                 yy_t[grid][tid][pp++] = 0;
900                 wp_t[grid][tid][pp]   = 0;
901                 xx_t[grid][tid][pp]   = 1.e-7;
902                 yy_t[grid][tid][pp++] = lo[1] + 5.e-7;
903               } else {
904                 const PetscInt p0 = NN - 6;
905                 for (PetscInt pj = 0; pj < 6; pj++) xx_t[grid][tid][p0 + pj] = yy_t[grid][tid][p0 + pj] = zz_t[grid][tid][p0 + pj] = wp_t[grid][tid][p0 + pj] = 0;
906                 xx_t[grid][tid][p0 + 0] = lo[0];
907                 xx_t[grid][tid][p0 + 1] = hi[0];
908                 yy_t[grid][tid][p0 + 2] = lo[1];
909                 yy_t[grid][tid][p0 + 3] = hi[1];
910                 zz_t[grid][tid][p0 + 4] = lo[2];
911                 zz_t[grid][tid][p0 + 5] = hi[2];
912               }
913             }
914           } // active
915         } // threads
916         /* Create particle swarm */
917         for (PetscInt tid = 0; tid < numthreads; tid++) {
918           const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
919           if (glb_v_id < num_vertices) {                             // the ragged edge of the last batch
920             for (PetscInt grid = 0; grid < ctx->num_grids; grid++) { // add same particels for all grids
921               // for (PetscInt sp = ctx->species_offset[grid], i0 = 0; sp < ctx->species_offset[grid + 1]; sp++, i0++) -- loop over species for Nf > 1 -- TODO
922               PetscErrorCode ierr_t;
923               PetscSection   section;
924               PetscInt       Nf;
925               DM             dm = grid_dm[grid];
926               ierr_t            = DMGetLocalSection(dm, &section);
927               ierr_t            = PetscSectionGetNumFields(section, &Nf);
928               if (Nf != 1) ierr_t = (PetscErrorCode)9999;
929               else {
930                 ierr_t = DMViewFromOptions(dm, NULL, "-dm_view");
931                 ierr_t = PetscInfo(pack, "call createSwarm [%" PetscInt_FMT ".%" PetscInt_FMT "] local block index %" PetscInt_FMT "\n", v_id, grid, LAND_PACK_IDX(v_id, grid));
932                 ierr_t = createSwarm(dm, dim, &globSwarmArray[LAND_PACK_IDX(v_id, grid)]);
933               }
934               if (ierr_t) ierr = ierr_t;
935             }
936           } // active
937         } // threads
938         PetscCheck(ierr != 9999, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "Only support one species per grid");
939         PetscCheck(!ierr, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "Error in OMP loop. ierr = %d", (int)ierr);
940         // make globMpArray
941         PetscPragmaOMP(parallel for)
942         for (PetscInt tid = 0; tid < numthreads; tid++) {
943           const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
944           if (glb_v_id < num_vertices) {
945             for (PetscInt grid = 0; grid < ctx->num_grids; grid++) { // add same particels for all grids
946               // for (PetscInt sp = ctx->species_offset[grid], i0 = 0; sp < ctx->species_offset[grid + 1]; sp++, i0++) -- loop over species for Nf > 1 -- TODO
947               PetscErrorCode ierr_t;
948               DM             sw = globSwarmArray[LAND_PACK_IDX(v_id, grid)];
949               ierr_t            = PetscInfo(pack, "makeSwarm %" PetscInt_FMT ".%" PetscInt_FMT ") for block %" PetscInt_FMT "\n", v_id, grid, LAND_PACK_IDX(v_id, grid));
950               ierr_t            = makeSwarm(sw, dim, Np_t[grid][tid], xx_t[grid][tid], yy_t[grid][tid], zz_t[grid][tid]);
951               if (ierr_t) ierr = ierr_t;
952             }
953           } // active
954         } // threads
955         // create particle mass matrices
956         //PetscPragmaOMP(parallel for)
957         for (PetscInt tid = 0; tid < numthreads; tid++) {
958           const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
959           if (glb_v_id < num_vertices) {
960             for (PetscInt grid = 0; grid < ctx->num_grids; grid++) { // add same particels for all grids
961               PetscErrorCode ierr_t;
962               DM             dm = grid_dm[grid];
963               DM             sw = globSwarmArray[LAND_PACK_IDX(v_id, grid)];
964               ierr_t            = PetscInfo(pack, "createMp %" PetscInt_FMT ".%" PetscInt_FMT ") for block %" PetscInt_FMT "\n", v_id, grid, LAND_PACK_IDX(v_id, grid));
965               ierr_t            = createMp(dm, sw, &globMpArray[LAND_PACK_IDX(v_id, grid)]);
966               if (ierr_t) ierr = ierr_t;
967             }
968           } // active
969         } // threads
970         PetscCheck(!ierr, PETSC_COMM_WORLD, PETSC_ERR_PLIB, "Error in OMP loop. ierr = %d", (int)ierr);
971         /* Cleanup */
972         for (PetscInt tid = 0; tid < numthreads; tid++) {
973           const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
974           if (glb_v_id < num_vertices) {
975             for (PetscInt grid = 0; grid < ctx->num_grids; grid++) { // add same particels for all grids
976               PetscCall(PetscFree4(xx_t[grid][tid], yy_t[grid][tid], wp_t[grid][tid], zz_t[grid][tid]));
977             }
978           } // active
979         } // threads
980       } // batch
981       // view
982       if (v_target >= global_vertex_id_0 && v_target < global_vertex_id_0 + ctx->batch_sz) {
983         /* Visualize particle field */
984         DM  sw = globSwarmArray[LAND_PACK_IDX(v_target % ctx->batch_sz, g_target)];
985         Vec f;
986         PetscCall(DMSetOutputSequenceNumber(sw, 0, 0.0));
987         PetscCall(DMViewFromOptions(sw, NULL, "-resampled_weights_sw_view"));
988         PetscCall(DMSwarmCreateGlobalVectorFromField(sw, "w_q", &f));
989         PetscCall(PetscObjectSetName((PetscObject)f, "resampled_weights"));
990         PetscCall(VecViewFromOptions(f, NULL, "-resampled_weights_vec_view"));
991         PetscCall(DMSwarmDestroyGlobalVectorFromField(sw, "w_q", &f));
992         PetscCall(DMSwarmViewXDMF(sw, "resampled.xmf"));
993       }
994     } // !uniform
995     // particles to grid, compute moments and entropy, for target vertex only
996     if (v_target >= global_vertex_id_0 && v_target < global_vertex_id_0 + ctx->batch_sz && printCtx->print_entropy) {
997       PetscReal energy_error_rel;
998       PetscCall(gridToParticles_private(grid_dm, globSwarmArray, dim, v_target, numthreads, num_vertices, global_vertex_id_0, globMpArray, g_Mass, t_fhat, moments_1b, globXArray, ctx));
999       energy_error_rel = PetscAbsReal(moments_1b[2] - moments_0[2]) / moments_0[2];
1000       PetscCall(PetscPrintf(PETSC_COMM_WORLD, "Particle Moments:\t number density      momentum (par)     energy             entropy            negative weights  : # OMP threads %g\n", (double)numthreads));
1001       PetscCall(PetscPrintf(PETSC_COMM_WORLD, "\tInitial:         %18.12e %19.12e %18.12e %18.12e %g %%\n", (double)moments_0[0], (double)moments_0[1], (double)moments_0[2], (double)moments_0[3], 100 * (double)(moments_0[4] / moments_0[0])));
1002       PetscCall(PetscPrintf(PETSC_COMM_WORLD, "\tCoarse-graining: %18.12e %19.12e %18.12e %18.12e %g %%\n", (double)moments_1a[0], (double)moments_1a[1], (double)moments_1a[2], (double)moments_1a[3], 100 * (double)(moments_1a[4] / moments_0[0])));
1003       PetscCall(PetscPrintf(PETSC_COMM_WORLD, "\tLandau:          %18.12e %19.12e %18.12e %18.12e %g %%\n", (double)moments_1b[0], (double)moments_1b[1], (double)moments_1b[2], (double)moments_1b[3], 100 * (double)(moments_1b[4] / moments_0[0])));
1004       PetscCall(PetscPrintf(PETSC_COMM_WORLD, "Coarse-graining entropy generation = %e ; Landau entropy generation = %e\n", (double)(moments_1a[3] - moments_0[3]), (double)(moments_1b[3] - moments_0[3])));
1005       PetscCall(PetscPrintf(PETSC_COMM_WORLD, "(relative) energy conservation: Coarse-graining = %e, Landau = %e (%g %d)\n", (double)(moments_1a[2] - moments_0[2]) / (double)moments_0[2], (double)energy_error_rel, (double)PetscLog10Real(energy_error_rel), (int)(PetscLog10Real(energy_error_rel) + .5)));
1006     }
1007     // restore vector
1008     PetscCall(DMCompositeRestoreAccessArray(pack, X, nDMs, NULL, globXArray));
1009     // cleanup
1010     for (PetscInt v_id_0 = 0; v_id_0 < ctx->batch_sz; v_id_0 += numthreads) {
1011       for (PetscInt tid = 0; tid < numthreads; tid++) {
1012         const PetscInt v_id = v_id_0 + tid, glb_v_id = global_vertex_id_0 + v_id;
1013         if (glb_v_id < num_vertices) {
1014           for (PetscInt grid = 0; grid < ctx->num_grids; grid++) {
1015             PetscCall(DMDestroy(&globSwarmArray[LAND_PACK_IDX(v_id, grid)]));
1016             PetscCall(MatDestroy(&globMpArray[LAND_PACK_IDX(v_id, grid)]));
1017           }
1018         }
1019       }
1020     }
1021   } // user batch, not used
1022   /* Cleanup */
1023   PetscCall(PetscFree(globXArray));
1024   PetscCall(PetscFree(globSwarmArray));
1025   PetscCall(PetscFree(globMpArray));
1026   PetscCall(PetscFree(printCtx));
1027   // clean up mass matrices
1028   for (PetscInt grid = 0; grid < ctx->num_grids; grid++) { // add same particels for all grids
1029     PetscCall(MatDestroy(&g_Mass[grid]));
1030     for (PetscInt tid = 0; tid < numthreads; tid++) {
1031       PetscCall(VecDestroy(&t_fhat[grid][tid]));
1032       PetscCall(KSPDestroy(&t_ksp[grid][tid]));
1033     }
1034   }
1035   PetscFunctionReturn(PETSC_SUCCESS);
1036 }
1037 
main(int argc,char ** argv)1038 int main(int argc, char **argv)
1039 {
1040   DM         pack;
1041   Vec        X;
1042   PetscInt   dim = 2, num_vertices = 1, Np = 10, v_target = 0, g_target = 0;
1043   TS         ts;
1044   Mat        J;
1045   LandauCtx *ctx;
1046   PetscReal  shift                     = 0;
1047   PetscBool  use_uniform_particle_grid = PETSC_TRUE;
1048 
1049   PetscFunctionBeginUser;
1050   PetscCall(PetscInitialize(&argc, &argv, NULL, help));
1051   // process args
1052   PetscOptionsBegin(PETSC_COMM_SELF, "", "Collision Options", "DMPLEX");
1053   PetscCall(PetscOptionsInt("-dim", "Velocity space dimension", "ex30.c", dim, &dim, NULL));
1054   PetscCall(PetscOptionsInt("-number_spatial_vertices", "Number of user spatial vertices to be batched for Landau", "ex30.c", num_vertices, &num_vertices, NULL));
1055   PetscCall(PetscOptionsInt("-number_particles_per_dimension", "Number of particles per grid, with slight modification per spatial vertex, in each dimension of base Cartesian grid", "ex30.c", Np, &Np, NULL));
1056   PetscCall(PetscOptionsBool("-use_uniform_particle_grid", "Use uniform particle grid", "ex30.c", use_uniform_particle_grid, &use_uniform_particle_grid, NULL));
1057   PetscCall(PetscOptionsInt("-vertex_view_target", "Global vertex for diagnostics", "ex30.c", v_target, &v_target, NULL));
1058   PetscCall(PetscOptionsReal("-e_shift", "Bi-Maxwellian shift", "ex30.c", shift, &shift, NULL));
1059   PetscCheck(v_target < num_vertices, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "Batch to view %" PetscInt_FMT " should be < number of vertices %" PetscInt_FMT, v_target, num_vertices);
1060   PetscCall(PetscOptionsInt("-grid_view_target", "Grid to view with diagnostics", "ex30.c", g_target, &g_target, NULL));
1061   PetscOptionsEnd();
1062   /* Create a mesh */
1063   PetscCall(DMPlexLandauCreateVelocitySpace(PETSC_COMM_SELF, dim, "", &X, &J, &pack));
1064   PetscCall(DMGetApplicationContext(pack, &ctx));
1065   PetscCall(DMSetUp(pack));
1066   PetscCall(DMSetOutputSequenceNumber(pack, 0, 0.0));
1067   PetscCheck(g_target < ctx->num_grids, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "Grid to view %" PetscInt_FMT " should be < number of grids %" PetscInt_FMT, g_target, ctx->num_grids);
1068   PetscCheck(ctx->batch_view_idx == v_target % ctx->batch_sz, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "Global view index %" PetscInt_FMT " mode batch size %" PetscInt_FMT " != ctx->batch_view_idx %" PetscInt_FMT, v_target, ctx->batch_sz, ctx->batch_view_idx);
1069   // PetscCheck(!use_uniform_particle_grid || !ctx->sphere, PETSC_COMM_WORLD, PETSC_ERR_ARG_OUTOFRANGE, "Can not use -use_uniform_particle_grid and -dm_landau_sphere");
1070   /* Create timestepping solver context */
1071   PetscCall(TSCreate(PETSC_COMM_SELF, &ts));
1072   PetscCall(TSSetDM(ts, pack));
1073   PetscCall(TSSetIFunction(ts, NULL, DMPlexLandauIFunction, NULL));
1074   PetscCall(TSSetIJacobian(ts, J, J, DMPlexLandauIJacobian, NULL));
1075   PetscCall(TSSetExactFinalTime(ts, TS_EXACTFINALTIME_STEPOVER));
1076   PetscCall(TSSetFromOptions(ts));
1077   PetscCall(PetscObjectSetName((PetscObject)X, "X"));
1078   // do particle advance
1079   PetscCall(go(ts, X, num_vertices, Np, dim, v_target, g_target, shift, use_uniform_particle_grid));
1080   PetscCall(MatZeroEntries(J)); // need to zero out so as to not reuse it in Landau's logic
1081   /* clean up */
1082   PetscCall(DMPlexLandauDestroyVelocitySpace(&pack));
1083   PetscCall(TSDestroy(&ts));
1084   PetscCall(VecDestroy(&X));
1085   PetscCall(PetscFinalize());
1086   return 0;
1087 }
1088 
1089 /*TEST
1090 
1091   build:
1092     requires: !complex
1093 
1094   testset:
1095     requires: double defined(PETSC_USE_DMLANDAU_2D)
1096     output_file: output/ex30_0.out
1097     args: -dim 2 -petscspace_degree 3 -dm_landau_num_species_grid 1,1,1 -dm_refine 1 -number_particles_per_dimension 20 \
1098           -dm_landau_batch_size 4 -number_spatial_vertices 6 -vertex_view_target 5 -grid_view_target 1 -dm_landau_batch_view_idx 1 \
1099           -dm_landau_n 1.000018,1,1e-6 -dm_landau_thermal_temps 2,1,1 -dm_landau_ion_masses 2,180 -dm_landau_ion_charges 1,18 \
1100           -ftop_ksp_rtol 1e-10 -ftop_ksp_type lsqr -ftop_pc_type bjacobi -ftop_sub_pc_factor_shift_type nonzero -ftop_sub_pc_type lu -ftop_ksp_error_if_not_converged \
1101           -ksp_type gmres -ksp_error_if_not_converged -dm_landau_verbose 4 -print_entropy \
1102           -ptof_ksp_type cg -ptof_pc_type jacobi -ptof_ksp_rtol 1e-12 -ptof_ksp_error_if_not_converged\
1103           -snes_converged_reason -snes_monitor -snes_rtol 1e-12 -snes_stol 1e-12 \
1104           -ts_time_step 0.01 -ts_rtol 1e-1 -ts_exact_final_time stepover -ts_max_snes_failures -1 -ts_max_steps 1 -ts_monitor -ts_type beuler
1105     test:
1106       suffix: cpu
1107       args: -dm_landau_device_type cpu -pc_type jacobi
1108     test:
1109       suffix: kokkos
1110       # failed on Sunspot@ALCF with sycl
1111       requires: kokkos_kernels !openmp !sycl
1112       args: -dm_landau_device_type kokkos -dm_mat_type aijkokkos -dm_vec_type kokkos -pc_type bjkokkos -pc_bjkokkos_ksp_type tfqmr -pc_bjkokkos_pc_type jacobi
1113 
1114   testset:
1115     requires: double !defined(PETSC_USE_DMLANDAU_2D)
1116     output_file: output/ex30_3d.out
1117     args: -dim 3 -petscspace_degree 2 -dm_landau_num_species_grid 1,1 -dm_refine 0 -number_particles_per_dimension 10 -dm_plex_hash_location \
1118           -dm_landau_batch_size 1 -number_spatial_vertices 1 -vertex_view_target 0 -grid_view_target 0 -dm_landau_batch_view_idx 0 \
1119           -dm_landau_n 1.000018,1 -dm_landau_thermal_temps 2,1 -dm_landau_ion_masses 2 -dm_landau_ion_charges 1 \
1120           -ftop_ksp_type cg -ftop_pc_type jacobi -ftop_ksp_rtol 1e-12 -ftop_ksp_error_if_not_converged -ksp_type preonly -pc_type lu -ksp_error_if_not_converged \
1121           -ptof_ksp_type cg -ptof_pc_type jacobi -ptof_ksp_rtol 1e-12 -ptof_ksp_error_if_not_converged \
1122           -snes_converged_reason -snes_monitor -snes_rtol 1e-12 -snes_stol 1e-12 \
1123           -ts_time_step 0.1 -ts_exact_final_time stepover -ts_max_snes_failures -1 -ts_max_steps 1 -ts_monitor -ts_type beuler -print_entropy
1124     test:
1125       suffix: cpu_3d
1126       args: -dm_landau_device_type cpu
1127     test:
1128       suffix: kokkos_3d
1129       requires: kokkos_kernels !openmp
1130       args: -dm_landau_device_type kokkos -dm_mat_type aijkokkos -dm_vec_type kokkos -pc_type bjkokkos -pc_bjkokkos_ksp_type tfqmr -pc_bjkokkos_pc_type jacobi
1131 
1132   test:
1133     suffix: conserve
1134     requires: !complex double defined(PETSC_USE_DMLANDAU_2D) !cuda
1135     args: -dm_landau_batch_size 4 -dm_refine 0 -dm_landau_num_species_grid 1 -dm_landau_thermal_temps 1 -petscspace_degree 3 -snes_converged_reason -ts_type beuler -ts_time_step .1 \
1136           -ts_max_steps 1 -ksp_type preonly -ksp_error_if_not_converged -snes_rtol 1e-14 -snes_stol 1e-14 -dm_landau_device_type cpu -number_particles_per_dimension 20 \
1137           -ptof_ksp_type cg -ptof_pc_type jacobi -ptof_ksp_rtol 1e-14 -ptof_ksp_error_if_not_converged -pc_type lu -dm_landau_simplex 1 -use_uniform_particle_grid false -dm_landau_sphere -print_entropy -number_particles_per_dimension 50 -ftop_ksp_type cg -ftop_pc_type jacobi -ftop_ksp_rtol 1e-14
1138 
1139 TEST*/
1140