xref: /libCEED/examples/petsc/bps.c (revision 3b3d4a1544223dccb9188543627b162b3e28ae23)
1 // Copyright (c) 2017, Lawrence Livermore National Security, LLC. Produced at
2 // the Lawrence Livermore National Laboratory. LLNL-CODE-734707. All Rights
3 // reserved. See files LICENSE and NOTICE for details.
4 //
5 // This file is part of CEED, a collection of benchmarks, miniapps, software
6 // libraries and APIs for efficient high-order finite element and spectral
7 // element discretizations for exascale applications. For more information and
8 // source code availability see http://github.com/ceed.
9 //
10 // The CEED research is supported by the Exascale Computing Project 17-SC-20-SC,
11 // a collaborative effort of two U.S. Department of Energy organizations (Office
12 // of Science and the National Nuclear Security Administration) responsible for
13 // the planning and preparation of a capable exascale ecosystem, including
14 // software, applications, hardware, advanced system engineering and early
15 // testbed platforms, in support of the nation's exascale computing imperative.
16 
17 //                        libCEED + PETSc Example: CEED BPs
18 //
19 // This example demonstrates a simple usage of libCEED with PETSc to solve the
20 // CEED BP benchmark problems, see http://ceed.exascaleproject.org/bps.
21 //
22 // The code is intentionally "raw", using only low-level communication
23 // primitives.
24 //
25 // Build with:
26 //
27 //     make bps [PETSC_DIR=</path/to/petsc>] [CEED_DIR=</path/to/libceed>]
28 //
29 // Sample runs:
30 //
31 //     bps -problem bp1
32 //     bps -problem bp2 -ceed /cpu/self
33 //     bps -problem bp3 -ceed /gpu/occa
34 //     bps -problem bp4 -ceed /cpu/occa
35 //     bps -problem bp5 -ceed /omp/occa
36 //     bps -problem bp6 -ceed /ocl/occa
37 //
38 //TESTARGS -ceed {ceed_resource} -test -problem bp2
39 
40 /// @file
41 /// CEED BPs example using PETSc
42 /// See bpsdmplex.c for an implementation using DMPlex unstructured grids.
43 const char help[] = "Solve CEED BPs using PETSc\n";
44 
45 #include <stdbool.h>
46 #include <string.h>
47 #include <petscksp.h>
48 #include <ceed.h>
49 #include "common.h"
50 #include "bp1.h"
51 #include "bp2.h"
52 #include "bp3.h"
53 #include "bp4.h"
54 
55 static void Split3(PetscInt size, PetscInt m[3], bool reverse) {
56   for (PetscInt d=0,sizeleft=size; d<3; d++) {
57     PetscInt try = (PetscInt)PetscCeilReal(PetscPowReal(sizeleft, 1./(3 - d)));
58     while (try * (sizeleft / try) != sizeleft) try++;
59     m[reverse ? 2-d : d] = try;
60     sizeleft /= try;
61   }
62 }
63 
64 static PetscInt Max3(const PetscInt a[3]) {
65   return PetscMax(a[0], PetscMax(a[1], a[2]));
66 }
67 static PetscInt Min3(const PetscInt a[3]) {
68   return PetscMin(a[0], PetscMin(a[1], a[2]));
69 }
70 static void GlobalNodes(const PetscInt p[3], const PetscInt irank[3],
71                         PetscInt degree, const PetscInt melem[3],
72                         PetscInt mnodes[3]) {
73   for (int d=0; d<3; d++)
74     mnodes[d] = degree*melem[d] + (irank[d] == p[d]-1);
75 }
76 static PetscInt GlobalStart(const PetscInt p[3], const PetscInt irank[3],
77                             PetscInt degree, const PetscInt melem[3]) {
78   PetscInt start = 0;
79   // Dumb brute-force is easier to read
80   for (PetscInt i=0; i<p[0]; i++) {
81     for (PetscInt j=0; j<p[1]; j++) {
82       for (PetscInt k=0; k<p[2]; k++) {
83         PetscInt mnodes[3], ijkrank[] = {i,j,k};
84         if (i == irank[0] && j == irank[1] && k == irank[2]) return start;
85         GlobalNodes(p, ijkrank, degree, melem, mnodes);
86         start += mnodes[0] * mnodes[1] * mnodes[2];
87       }
88     }
89   }
90   return -1;
91 }
92 static int CreateRestriction(Ceed ceed, const CeedInt melem[3],
93                              CeedInt P, CeedInt ncomp,
94                              CeedElemRestriction *Erestrict) {
95   const PetscInt nelem = melem[0]*melem[1]*melem[2];
96   PetscInt mnodes[3], *idx, *idxp;
97 
98   // Get indicies
99   for (int d=0; d<3; d++) mnodes[d] = melem[d]*(P-1) + 1;
100   idxp = idx = malloc(nelem*P*P*P*sizeof idx[0]);
101   for (CeedInt i=0; i<melem[0]; i++) {
102     for (CeedInt j=0; j<melem[1]; j++) {
103       for (CeedInt k=0; k<melem[2]; k++,idxp += P*P*P) {
104         for (CeedInt ii=0; ii<P; ii++) {
105           for (CeedInt jj=0; jj<P; jj++) {
106             for (CeedInt kk=0; kk<P; kk++) {
107               if (0) { // This is the C-style (i,j,k) ordering that I prefer
108                 idxp[(ii*P+jj)*P+kk] = (((i*(P-1)+ii)*mnodes[1]
109                                          + (j*(P-1)+jj))*mnodes[2]
110                                         + (k*(P-1)+kk));
111               } else { // (k,j,i) ordering for consistency with MFEM example
112                 idxp[ii+P*(jj+P*kk)] = (((i*(P-1)+ii)*mnodes[1]
113                                          + (j*(P-1)+jj))*mnodes[2]
114                                         + (k*(P-1)+kk));
115               }
116             }
117           }
118         }
119       }
120     }
121   }
122 
123   // Setup CEED restriction
124   CeedElemRestrictionCreate(ceed, nelem, P*P*P, mnodes[0]*mnodes[1]*mnodes[2],
125                             ncomp,
126                             CEED_MEM_HOST, CEED_OWN_POINTER, idx, Erestrict);
127 
128   PetscFunctionReturn(0);
129 }
130 
131 // Data for PETSc
132 typedef struct User_ *User;
133 struct User_ {
134   MPI_Comm comm;
135   VecScatter ltog;              // Scatter for all entries
136   VecScatter ltog0;             // Skip Dirichlet values
137   VecScatter gtogD;             // global-to-global; only Dirichlet values
138   Vec Xloc, Yloc;
139   CeedVector xceed, yceed;
140   CeedOperator op;
141   CeedVector qdata;
142   Ceed ceed;
143 };
144 
145 // BP Options
146 typedef enum {
147   CEED_BP1 = 0, CEED_BP2 = 1, CEED_BP3 = 2,
148   CEED_BP4 = 3, CEED_BP5 = 4, CEED_BP6 = 5
149 } bpType;
150 static const char *const bpTypes[] = {"bp1","bp2","bp3","bp4","bp5","bp6",
151                                       "bpType","CEED_BP",0
152                                      };
153 
154 // BP specific data
155 typedef struct {
156   CeedInt ncompu, qdatasize, qextra;
157   CeedQFunctionUser setup, apply, error;
158   const char *setupfname, *applyfname, *errorfname;
159   CeedEvalMode inmode, outmode;
160   CeedQuadMode qmode;
161 } bpData;
162 
163 bpData bpOptions[6] = {
164   [CEED_BP1] = {
165     .ncompu = 1,
166     .qdatasize = 1,
167     .qextra = 1,
168     .setup = SetupMass,
169     .apply = Mass,
170     .error = Error,
171     .setupfname = SetupMass_loc,
172     .applyfname = Mass_loc,
173     .errorfname = Error_loc,
174     .inmode = CEED_EVAL_INTERP,
175     .outmode = CEED_EVAL_INTERP,
176     .qmode = CEED_GAUSS
177   },
178   [CEED_BP2] = {
179     .ncompu = 3,
180     .qdatasize = 1,
181     .qextra = 1,
182     .setup = SetupMass3,
183     .apply = Mass3,
184     .error = Error3,
185     .setupfname = SetupMass3_loc,
186     .applyfname = Mass3_loc,
187     .errorfname = Error3_loc,
188     .inmode = CEED_EVAL_INTERP,
189     .outmode = CEED_EVAL_INTERP,
190     .qmode = CEED_GAUSS
191   },
192   [CEED_BP3] = {
193     .ncompu = 1,
194     .qdatasize = 6,
195     .qextra = 1,
196     .setup = SetupDiff,
197     .apply = Diff,
198     .error = Error,
199     .setupfname = SetupDiff_loc,
200     .applyfname = Diff_loc,
201     .errorfname = Error_loc,
202     .inmode = CEED_EVAL_GRAD,
203     .outmode = CEED_EVAL_GRAD,
204     .qmode = CEED_GAUSS
205   },
206   [CEED_BP4] = {
207     .ncompu = 3,
208     .qdatasize = 6,
209     .qextra = 1,
210     .setup = SetupDiff3,
211     .apply = Diff3,
212     .error = Error3,
213     .setupfname = SetupDiff3_loc,
214     .applyfname = Diff3_loc,
215     .errorfname = Error3_loc,
216     .inmode = CEED_EVAL_GRAD,
217     .outmode = CEED_EVAL_GRAD,
218     .qmode = CEED_GAUSS
219   },
220   [CEED_BP5] = {
221     .ncompu = 1,
222     .qdatasize = 6,
223     .qextra = 0,
224     .setup = SetupDiff,
225     .apply = Diff,
226     .error = Error,
227     .setupfname = SetupDiff_loc,
228     .applyfname = Diff_loc,
229     .errorfname = Error_loc,
230     .inmode = CEED_EVAL_GRAD,
231     .outmode = CEED_EVAL_GRAD,
232     .qmode = CEED_GAUSS_LOBATTO
233   },
234   [CEED_BP6] = {
235     .ncompu = 3,
236     .qdatasize = 6,
237     .qextra = 0,
238     .setup = SetupDiff3,
239     .apply = Diff3,
240     .error = Error3,
241     .setupfname = SetupDiff3_loc,
242     .applyfname = Diff3_loc,
243     .errorfname = Error3_loc,
244     .inmode = CEED_EVAL_GRAD,
245     .outmode = CEED_EVAL_GRAD,
246     .qmode = CEED_GAUSS_LOBATTO
247   }
248 };
249 
250 // This function uses libCEED to compute the action of the mass matrix
251 static PetscErrorCode MatMult_Mass(Mat A, Vec X, Vec Y) {
252   PetscErrorCode ierr;
253   User user;
254   PetscScalar *x, *y;
255 
256   PetscFunctionBeginUser;
257   ierr = MatShellGetContext(A, &user); CHKERRQ(ierr);
258   ierr = VecScatterBegin(user->ltog, X, user->Xloc, INSERT_VALUES,
259                          SCATTER_REVERSE); CHKERRQ(ierr);
260   ierr = VecScatterEnd(user->ltog, X, user->Xloc, INSERT_VALUES, SCATTER_REVERSE);
261   CHKERRQ(ierr);
262   ierr = VecZeroEntries(user->Yloc); CHKERRQ(ierr);
263 
264   ierr = VecGetArrayRead(user->Xloc, (const PetscScalar **)&x); CHKERRQ(ierr);
265   ierr = VecGetArray(user->Yloc, &y); CHKERRQ(ierr);
266   CeedVectorSetArray(user->xceed, CEED_MEM_HOST, CEED_USE_POINTER, x);
267   CeedVectorSetArray(user->yceed, CEED_MEM_HOST, CEED_USE_POINTER, y);
268 
269   CeedOperatorApply(user->op, user->xceed, user->yceed,
270                     CEED_REQUEST_IMMEDIATE);
271   ierr = CeedVectorSyncArray(user->yceed, CEED_MEM_HOST); CHKERRQ(ierr);
272 
273   ierr = VecRestoreArrayRead(user->Xloc, (const PetscScalar **)&x); CHKERRQ(ierr);
274   ierr = VecRestoreArray(user->Yloc, &y); CHKERRQ(ierr);
275 
276   if (Y) {
277     ierr = VecZeroEntries(Y); CHKERRQ(ierr);
278     ierr = VecScatterBegin(user->ltog, user->Yloc, Y, ADD_VALUES, SCATTER_FORWARD);
279     CHKERRQ(ierr);
280     ierr = VecScatterEnd(user->ltog, user->Yloc, Y, ADD_VALUES, SCATTER_FORWARD);
281     CHKERRQ(ierr);
282   }
283   PetscFunctionReturn(0);
284 }
285 
286 // This function uses libCEED to compute the action of the Laplacian with
287 // Dirichlet boundary conditions
288 static PetscErrorCode MatMult_Diff(Mat A, Vec X, Vec Y) {
289   PetscErrorCode ierr;
290   User user;
291   PetscScalar *x, *y;
292 
293   PetscFunctionBeginUser;
294   ierr = MatShellGetContext(A, &user); CHKERRQ(ierr);
295 
296   // Global-to-local
297   ierr = VecScatterBegin(user->ltog0, X, user->Xloc, INSERT_VALUES,
298                          SCATTER_REVERSE); CHKERRQ(ierr);
299   ierr = VecScatterEnd(user->ltog0, X, user->Xloc, INSERT_VALUES,
300                        SCATTER_REVERSE);
301   CHKERRQ(ierr);
302   ierr = VecZeroEntries(user->Yloc); CHKERRQ(ierr);
303 
304   // Setup CEED vectors
305   ierr = VecGetArrayRead(user->Xloc, (const PetscScalar **)&x); CHKERRQ(ierr);
306   ierr = VecGetArray(user->Yloc, &y); CHKERRQ(ierr);
307   CeedVectorSetArray(user->xceed, CEED_MEM_HOST, CEED_USE_POINTER, x);
308   CeedVectorSetArray(user->yceed, CEED_MEM_HOST, CEED_USE_POINTER, y);
309 
310   // Apply CEED operator
311   CeedOperatorApply(user->op, user->xceed, user->yceed,
312                     CEED_REQUEST_IMMEDIATE);
313   ierr = CeedVectorSyncArray(user->yceed, CEED_MEM_HOST); CHKERRQ(ierr);
314 
315   // Restore PETSc vectors
316   ierr = VecRestoreArrayRead(user->Xloc, (const PetscScalar **)&x); CHKERRQ(ierr);
317   ierr = VecRestoreArray(user->Yloc, &y); CHKERRQ(ierr);
318 
319   // Local-to-global
320   ierr = VecZeroEntries(Y); CHKERRQ(ierr);
321   ierr = VecScatterBegin(user->gtogD, X, Y, INSERT_VALUES, SCATTER_FORWARD);
322   CHKERRQ(ierr);
323   ierr = VecScatterEnd(user->gtogD, X, Y, INSERT_VALUES, SCATTER_FORWARD);
324   CHKERRQ(ierr);
325   ierr = VecScatterBegin(user->ltog0, user->Yloc, Y, ADD_VALUES, SCATTER_FORWARD);
326   CHKERRQ(ierr);
327   ierr = VecScatterEnd(user->ltog0, user->Yloc, Y, ADD_VALUES, SCATTER_FORWARD);
328   CHKERRQ(ierr);
329 
330   PetscFunctionReturn(0);
331 }
332 
333 // This function calculates the error in the final solution
334 static PetscErrorCode ComputeErrorMax(User user, CeedOperator op_error, Vec X,
335                                       CeedVector target, PetscReal *maxerror) {
336   PetscErrorCode ierr;
337   PetscScalar *x;
338   CeedVector collocated_error;
339   CeedInt length;
340 
341   PetscFunctionBeginUser;
342   CeedVectorGetLength(target, &length);
343   CeedVectorCreate(user->ceed, length, &collocated_error);
344 
345   // Global-to-local
346   ierr = VecScatterBegin(user->ltog, X, user->Xloc, INSERT_VALUES,
347                          SCATTER_REVERSE); CHKERRQ(ierr);
348   ierr = VecScatterEnd(user->ltog, X, user->Xloc, INSERT_VALUES, SCATTER_REVERSE);
349   CHKERRQ(ierr);
350 
351   // Setup CEED vector
352   ierr = VecGetArrayRead(user->Xloc, (const PetscScalar **)&x); CHKERRQ(ierr);
353   CeedVectorSetArray(user->xceed, CEED_MEM_HOST, CEED_USE_POINTER, x);
354 
355   // Apply CEED operator
356   CeedOperatorApply(op_error, user->xceed, collocated_error,
357                     CEED_REQUEST_IMMEDIATE);
358 
359   // Restore PETSc vector
360   VecRestoreArrayRead(user->Xloc, (const PetscScalar **)&x); CHKERRQ(ierr);
361 
362   // Reduce max error
363   *maxerror = 0;
364   const CeedScalar *e;
365   CeedVectorGetArrayRead(collocated_error, CEED_MEM_HOST, &e);
366   for (CeedInt i=0; i<length; i++) {
367     *maxerror = PetscMax(*maxerror, PetscAbsScalar(e[i]));
368   }
369   CeedVectorRestoreArrayRead(collocated_error, &e);
370   ierr = MPI_Allreduce(MPI_IN_PLACE, maxerror,
371                        1, MPIU_REAL, MPIU_MAX, user->comm); CHKERRQ(ierr);
372 
373   // Cleanup
374   CeedVectorDestroy(&collocated_error);
375 
376   PetscFunctionReturn(0);
377 }
378 
379 int main(int argc, char **argv) {
380   PetscInt ierr;
381   MPI_Comm comm;
382   char ceedresource[PETSC_MAX_PATH_LEN] = "/cpu/self";
383   double my_rt_start, my_rt, rt_min, rt_max;
384   PetscInt degree, qextra, localnodes, localelem, melem[3], mnodes[3], p[3],
385            irank[3], lnodes[3], lsize, ncompu = 1;
386   PetscScalar *r;
387   PetscBool test_mode, benchmark_mode, write_solution;
388   PetscMPIInt size, rank;
389   Vec X, Xloc, rhs, rhsloc;
390   Mat mat;
391   KSP ksp;
392   VecScatter ltog, ltog0, gtogD;
393   User user;
394   Ceed ceed;
395   CeedBasis basisx, basisu;
396   CeedElemRestriction Erestrictx, Erestrictu, Erestrictxi, Erestrictui,
397                       Erestrictqdi;
398   CeedQFunction qf_setup, qf_apply, qf_error;
399   CeedOperator op_setup, op_apply, op_error;
400   CeedVector xcoord, qdata, rhsceed, target;
401   CeedInt P, Q;
402   const CeedInt dim = 3, ncompx = 3;
403   bpType bpChoice;
404 
405   ierr = PetscInitialize(&argc, &argv, NULL, help);
406   if (ierr) return ierr;
407   comm = PETSC_COMM_WORLD;
408   ierr = PetscOptionsBegin(comm, NULL, "CEED BPs in PETSc", NULL); CHKERRQ(ierr);
409   bpChoice = CEED_BP1;
410   ierr = PetscOptionsEnum("-problem",
411                           "CEED benchmark problem to solve", NULL,
412                           bpTypes, (PetscEnum)bpChoice, (PetscEnum *)&bpChoice,
413                           NULL); CHKERRQ(ierr);
414   ncompu = bpOptions[bpChoice].ncompu;
415   test_mode = PETSC_FALSE;
416   ierr = PetscOptionsBool("-test",
417                           "Testing mode (do not print unless error is large)",
418                           NULL, test_mode, &test_mode, NULL); CHKERRQ(ierr);
419   benchmark_mode = PETSC_FALSE;
420   ierr = PetscOptionsBool("-benchmark",
421                           "Benchmarking mode (prints benchmark statistics)",
422                           NULL, benchmark_mode, &benchmark_mode, NULL);
423   CHKERRQ(ierr);
424   write_solution = PETSC_FALSE;
425   ierr = PetscOptionsBool("-write_solution",
426                           "Write solution for visualization",
427                           NULL, write_solution, &write_solution, NULL);
428   CHKERRQ(ierr);
429   degree = test_mode ? 3 : 1;
430   ierr = PetscOptionsInt("-degree", "Polynomial degree of tensor product basis",
431                          NULL, degree, &degree, NULL); CHKERRQ(ierr);
432   qextra = bpOptions[bpChoice].qextra;
433   ierr = PetscOptionsInt("-qextra", "Number of extra quadrature points",
434                          NULL, qextra, &qextra, NULL); CHKERRQ(ierr);
435   ierr = PetscOptionsString("-ceed", "CEED resource specifier",
436                             NULL, ceedresource, ceedresource,
437                             sizeof(ceedresource), NULL); CHKERRQ(ierr);
438   localnodes = 1000;
439   ierr = PetscOptionsInt("-local",
440                          "Target number of locally owned nodes per process",
441                          NULL, localnodes, &localnodes, NULL); CHKERRQ(ierr);
442   ierr = PetscOptionsEnd(); CHKERRQ(ierr);
443   P = degree + 1;
444   Q = P + qextra;
445 
446   // Determine size of process grid
447   ierr = MPI_Comm_size(comm, &size); CHKERRQ(ierr);
448   Split3(size, p, false);
449 
450   // Find a nicely composite number of elements no less than localnodes
451   for (localelem = PetscMax(1, localnodes / (degree*degree*degree)); ;
452        localelem++) {
453     Split3(localelem, melem, true);
454     if (Max3(melem) / Min3(melem) <= 2) break;
455   }
456 
457   // Find my location in the process grid
458   ierr = MPI_Comm_rank(comm, &rank); CHKERRQ(ierr);
459   for (int d=0,rankleft=rank; d<dim; d++) {
460     const int pstride[3] = {p[1] *p[2], p[2], 1};
461     irank[d] = rankleft / pstride[d];
462     rankleft -= irank[d] * pstride[d];
463   }
464 
465   GlobalNodes(p, irank, degree, melem, mnodes);
466 
467   // Setup global vector
468   ierr = VecCreate(comm, &X); CHKERRQ(ierr);
469   ierr = VecSetSizes(X, mnodes[0]*mnodes[1]*mnodes[2]*ncompu, PETSC_DECIDE);
470   CHKERRQ(ierr);
471   ierr = VecSetUp(X); CHKERRQ(ierr);
472 
473   // Print summary
474   if (!test_mode) {
475     CeedInt gsize;
476     ierr = VecGetSize(X, &gsize); CHKERRQ(ierr);
477     ierr = PetscPrintf(comm,
478                        "\n-- CEED Benchmark Problem %d -- libCEED + PETSc --\n"
479                        "  libCEED:\n"
480                        "    libCEED Backend                    : %s\n"
481                        "  Mesh:\n"
482                        "    Number of 1D Basis Nodes (p)       : %d\n"
483                        "    Number of 1D Quadrature Points (q) : %d\n"
484                        "    Global nodes                       : %D\n"
485                        "    Process Decomposition              : %D %D %D\n"
486                        "    Local Elements                     : %D = %D %D %D\n"
487                        "    Owned nodes                        : %D = %D %D %D\n",
488                        bpChoice+1, ceedresource, P, Q,  gsize/ncompu, p[0],
489                        p[1], p[2], localelem, melem[0], melem[1], melem[2],
490                        mnodes[0]*mnodes[1]*mnodes[2], mnodes[0], mnodes[1], mnodes[2]);
491     CHKERRQ(ierr);
492   }
493 
494   {
495     lsize = 1;
496     for (int d=0; d<dim; d++) {
497       lnodes[d] = melem[d]*degree + 1;
498       lsize *= lnodes[d];
499     }
500     ierr = VecCreate(PETSC_COMM_SELF, &Xloc); CHKERRQ(ierr);
501     ierr = VecSetSizes(Xloc, lsize*ncompu, PETSC_DECIDE); CHKERRQ(ierr);
502     ierr = VecSetUp(Xloc); CHKERRQ(ierr);
503 
504     // Create local-to-global scatter
505     PetscInt *ltogind, *ltogind0, *locind, l0count;
506     IS ltogis, ltogis0, locis;
507     PetscInt gstart[2][2][2], gmnodes[2][2][2][dim];
508 
509     for (int i=0; i<2; i++) {
510       for (int j=0; j<2; j++) {
511         for (int k=0; k<2; k++) {
512           PetscInt ijkrank[3] = {irank[0]+i, irank[1]+j, irank[2]+k};
513           gstart[i][j][k] = GlobalStart(p, ijkrank, degree, melem);
514           GlobalNodes(p, ijkrank, degree, melem, gmnodes[i][j][k]);
515         }
516       }
517     }
518 
519     ierr = PetscMalloc1(lsize, &ltogind); CHKERRQ(ierr);
520     ierr = PetscMalloc1(lsize, &ltogind0); CHKERRQ(ierr);
521     ierr = PetscMalloc1(lsize, &locind); CHKERRQ(ierr);
522     l0count = 0;
523     for (PetscInt i=0,ir,ii; ir=i>=mnodes[0], ii=i-ir*mnodes[0], i<lnodes[0]; i++)
524       for (PetscInt j=0,jr,jj; jr=j>=mnodes[1], jj=j-jr*mnodes[1], j<lnodes[1]; j++)
525         for (PetscInt k=0,kr,kk; kr=k>=mnodes[2], kk=k-kr*mnodes[2], k<lnodes[2]; k++) {
526           PetscInt here = (i*lnodes[1]+j)*lnodes[2]+k;
527           ltogind[here] =
528             gstart[ir][jr][kr] + (ii*gmnodes[ir][jr][kr][1]+jj)*gmnodes[ir][jr][kr][2]+kk;
529           if ((irank[0] == 0 && i == 0)
530               || (irank[1] == 0 && j == 0)
531               || (irank[2] == 0 && k == 0)
532               || (irank[0]+1 == p[0] && i+1 == lnodes[0])
533               || (irank[1]+1 == p[1] && j+1 == lnodes[1])
534               || (irank[2]+1 == p[2] && k+1 == lnodes[2]))
535             continue;
536           ltogind0[l0count] = ltogind[here];
537           locind[l0count++] = here;
538         }
539     ierr = ISCreateBlock(comm, ncompu, lsize, ltogind, PETSC_OWN_POINTER,
540                          &ltogis); CHKERRQ(ierr);
541     ierr = VecScatterCreate(Xloc, NULL, X, ltogis, &ltog); CHKERRQ(ierr);
542     CHKERRQ(ierr);
543     ierr = ISCreateBlock(comm, ncompu, l0count, ltogind0, PETSC_OWN_POINTER,
544                          &ltogis0); CHKERRQ(ierr);
545     ierr = ISCreateBlock(comm, ncompu, l0count, locind, PETSC_OWN_POINTER,
546                          &locis); CHKERRQ(ierr);
547     ierr = VecScatterCreate(Xloc, locis, X, ltogis0, &ltog0); CHKERRQ(ierr);
548     {
549       // Create global-to-global scatter for Dirichlet values (everything not in
550       // ltogis0, which is the range of ltog0)
551       PetscInt xstart, xend, *indD, countD = 0;
552       IS isD;
553       const PetscScalar *x;
554       ierr = VecZeroEntries(Xloc); CHKERRQ(ierr);
555       ierr = VecSet(X, 1.0); CHKERRQ(ierr);
556       ierr = VecScatterBegin(ltog0, Xloc, X, INSERT_VALUES, SCATTER_FORWARD);
557       CHKERRQ(ierr);
558       ierr = VecScatterEnd(ltog0, Xloc, X, INSERT_VALUES, SCATTER_FORWARD);
559       CHKERRQ(ierr);
560       ierr = VecGetOwnershipRange(X, &xstart, &xend); CHKERRQ(ierr);
561       ierr = PetscMalloc1(xend-xstart, &indD); CHKERRQ(ierr);
562       ierr = VecGetArrayRead(X, &x); CHKERRQ(ierr);
563       for (PetscInt i=0; i<xend-xstart; i++) {
564         if (x[i] == 1.) indD[countD++] = xstart + i;
565       }
566       ierr = VecRestoreArrayRead(X, &x); CHKERRQ(ierr);
567       ierr = ISCreateGeneral(comm, countD, indD, PETSC_COPY_VALUES, &isD);
568       CHKERRQ(ierr);
569       ierr = PetscFree(indD); CHKERRQ(ierr);
570       ierr = VecScatterCreate(X, isD, X, isD, &gtogD); CHKERRQ(ierr);
571       ierr = ISDestroy(&isD); CHKERRQ(ierr);
572     }
573     ierr = ISDestroy(&ltogis); CHKERRQ(ierr);
574     ierr = ISDestroy(&ltogis0); CHKERRQ(ierr);
575     ierr = ISDestroy(&locis); CHKERRQ(ierr);
576   }
577 
578   // Set up libCEED
579   CeedInit(ceedresource, &ceed);
580 
581   // CEED bases
582   CeedBasisCreateTensorH1Lagrange(ceed, dim, ncompu, P, Q,
583                                   bpOptions[bpChoice].qmode, &basisu);
584   CeedBasisCreateTensorH1Lagrange(ceed, dim, ncompx, 2, Q,
585                                   bpOptions[bpChoice].qmode, &basisx);
586 
587   // CEED restrictions
588   CreateRestriction(ceed, melem, P, ncompu, &Erestrictu);
589   CreateRestriction(ceed, melem, 2, dim, &Erestrictx);
590   CeedInt nelem = melem[0]*melem[1]*melem[2];
591   CeedElemRestrictionCreateIdentity(ceed, nelem, Q*Q*Q, nelem*Q*Q*Q, ncompu,
592                                     &Erestrictui);
593   CeedElemRestrictionCreateIdentity(ceed, nelem,
594                                     Q*Q*Q,
595                                     nelem*Q*Q*Q,
596                                     bpOptions[bpChoice].qdatasize, &Erestrictqdi);
597   CeedElemRestrictionCreateIdentity(ceed, nelem, Q*Q*Q, nelem*Q*Q*Q, 1,
598                                     &Erestrictxi);
599   {
600     CeedScalar *xloc;
601     CeedInt shape[3] = {melem[0]+1, melem[1]+1, melem[2]+1}, len =
602                          shape[0]*shape[1]*shape[2];
603     xloc = malloc(len*ncompx*sizeof xloc[0]);
604     for (CeedInt i=0; i<shape[0]; i++) {
605       for (CeedInt j=0; j<shape[1]; j++) {
606         for (CeedInt k=0; k<shape[2]; k++) {
607           xloc[((i*shape[1]+j)*shape[2]+k) + 0*len] = 1.*(irank[0]*melem[0]+i) /
608               (p[0]*melem[0]);
609           xloc[((i*shape[1]+j)*shape[2]+k) + 1*len] = 1.*(irank[1]*melem[1]+j) /
610               (p[1]*melem[1]);
611           xloc[((i*shape[1]+j)*shape[2]+k) + 2*len] = 1.*(irank[2]*melem[2]+k) /
612               (p[2]*melem[2]);
613         }
614       }
615     }
616     CeedVectorCreate(ceed, len*ncompx, &xcoord);
617     CeedVectorSetArray(xcoord, CEED_MEM_HOST, CEED_OWN_POINTER, xloc);
618   }
619 
620   // Create the Q-function that builds the operator (i.e. computes its
621   // quadrature data) and set its context data
622   CeedQFunctionCreateInterior(ceed, 1, bpOptions[bpChoice].setup,
623                               bpOptions[bpChoice].setupfname, &qf_setup);
624   CeedQFunctionAddInput(qf_setup, "x", ncompx, CEED_EVAL_INTERP);
625   CeedQFunctionAddInput(qf_setup, "dx", ncompx*dim, CEED_EVAL_GRAD);
626   CeedQFunctionAddInput(qf_setup, "weight", 1, CEED_EVAL_WEIGHT);
627   CeedQFunctionAddOutput(qf_setup, "qdata", bpOptions[bpChoice].qdatasize,
628                          CEED_EVAL_NONE);
629   CeedQFunctionAddOutput(qf_setup, "true_soln", ncompu, CEED_EVAL_NONE);
630   CeedQFunctionAddOutput(qf_setup, "rhs", ncompu, CEED_EVAL_INTERP);
631 
632   // Set up PDE operator
633   CeedQFunctionCreateInterior(ceed, 1, bpOptions[bpChoice].apply,
634                               bpOptions[bpChoice].applyfname, &qf_apply);
635   // Add inputs and outputs
636   CeedInt gradInScale = bpOptions[bpChoice].inmode==CEED_EVAL_GRAD ? 3 : 1;
637   CeedInt gradOutScale = bpOptions[bpChoice].outmode==CEED_EVAL_GRAD ? 3 : 1;
638   CeedQFunctionAddInput(qf_apply, "u", ncompu*gradInScale,
639                         bpOptions[bpChoice].inmode);
640   CeedQFunctionAddInput(qf_apply, "qdata", bpOptions[bpChoice].qdatasize,
641                         CEED_EVAL_NONE);
642   CeedQFunctionAddOutput(qf_apply, "v", ncompu*gradOutScale,
643                          bpOptions[bpChoice].outmode);
644 
645   // Create the error qfunction
646   CeedQFunctionCreateInterior(ceed, 1, bpOptions[bpChoice].error,
647                               bpOptions[bpChoice].errorfname, &qf_error);
648   CeedQFunctionAddInput(qf_error, "u", ncompu, CEED_EVAL_INTERP);
649   CeedQFunctionAddInput(qf_error, "true_soln", ncompu, CEED_EVAL_NONE);
650   CeedQFunctionAddOutput(qf_error, "error", ncompu, CEED_EVAL_NONE);
651 
652   // Create the persistent vectors that will be needed in setup
653   CeedInt nqpts;
654   CeedBasisGetNumQuadraturePoints(basisu, &nqpts);
655   CeedVectorCreate(ceed, bpOptions[bpChoice].qdatasize*nelem*nqpts, &qdata);
656   CeedVectorCreate(ceed, nelem*nqpts*ncompu, &target);
657   CeedVectorCreate(ceed, lsize*ncompu, &rhsceed);
658 
659   // Create the operator that builds the quadrature data for the ceed operator
660   CeedOperatorCreate(ceed, qf_setup, NULL, NULL, &op_setup);
661   CeedOperatorSetField(op_setup, "x", Erestrictx, CEED_NOTRANSPOSE,
662                        basisx, CEED_VECTOR_ACTIVE);
663   CeedOperatorSetField(op_setup, "dx", Erestrictx, CEED_NOTRANSPOSE,
664                        basisx, CEED_VECTOR_ACTIVE);
665   CeedOperatorSetField(op_setup, "weight", Erestrictxi, CEED_NOTRANSPOSE,
666                        basisx, CEED_VECTOR_NONE);
667   CeedOperatorSetField(op_setup, "qdata", Erestrictqdi, CEED_NOTRANSPOSE,
668                        CEED_BASIS_COLLOCATED, CEED_VECTOR_ACTIVE);
669   CeedOperatorSetField(op_setup, "true_soln", Erestrictui, CEED_NOTRANSPOSE,
670                        CEED_BASIS_COLLOCATED, target);
671   CeedOperatorSetField(op_setup, "rhs", Erestrictu, CEED_TRANSPOSE,
672                        basisu, rhsceed);
673 
674   // Create the mass or diff operator
675   CeedOperatorCreate(ceed, qf_apply, NULL, NULL, &op_apply);
676   CeedOperatorSetField(op_apply, "u", Erestrictu, CEED_TRANSPOSE,
677                        basisu, CEED_VECTOR_ACTIVE);
678   CeedOperatorSetField(op_apply, "qdata", Erestrictqdi, CEED_NOTRANSPOSE,
679                        CEED_BASIS_COLLOCATED, qdata);
680   CeedOperatorSetField(op_apply, "v", Erestrictu, CEED_TRANSPOSE,
681                        basisu, CEED_VECTOR_ACTIVE);
682 
683   // Create the error operator
684   CeedOperatorCreate(ceed, qf_error, NULL, NULL, &op_error);
685   CeedOperatorSetField(op_error, "u", Erestrictu, CEED_TRANSPOSE,
686                        basisu, CEED_VECTOR_ACTIVE);
687   CeedOperatorSetField(op_error, "true_soln", Erestrictui, CEED_NOTRANSPOSE,
688                        CEED_BASIS_COLLOCATED, target);
689   CeedOperatorSetField(op_error, "error", Erestrictui, CEED_NOTRANSPOSE,
690                        CEED_BASIS_COLLOCATED, CEED_VECTOR_ACTIVE);
691 
692 
693   // Set up Mat
694   ierr = PetscMalloc1(1, &user); CHKERRQ(ierr);
695   user->comm = comm;
696   user->ltog = ltog;
697   if (bpChoice != CEED_BP1 && bpChoice != CEED_BP2) {
698     user->ltog0 = ltog0;
699     user->gtogD = gtogD;
700   }
701   user->Xloc = Xloc;
702   ierr = VecDuplicate(Xloc, &user->Yloc); CHKERRQ(ierr);
703   CeedVectorCreate(ceed, lsize*ncompu, &user->xceed);
704   CeedVectorCreate(ceed, lsize*ncompu, &user->yceed);
705   user->op = op_apply;
706   user->qdata = qdata;
707   user->ceed = ceed;
708 
709   ierr = MatCreateShell(comm, mnodes[0]*mnodes[1]*mnodes[2]*ncompu,
710                         mnodes[0]*mnodes[1]*mnodes[2]*ncompu,
711                         PETSC_DECIDE, PETSC_DECIDE, user, &mat); CHKERRQ(ierr);
712   if (bpChoice == CEED_BP1 || bpChoice == CEED_BP2) {
713     ierr = MatShellSetOperation(mat, MATOP_MULT, (void(*)(void))MatMult_Mass);
714     CHKERRQ(ierr);
715   } else {
716     ierr = MatShellSetOperation(mat, MATOP_MULT, (void(*)(void))MatMult_Diff);
717     CHKERRQ(ierr);
718   }
719   ierr = MatCreateVecs(mat, &rhs, NULL); CHKERRQ(ierr);
720 
721   // Get RHS vector
722   ierr = VecDuplicate(Xloc, &rhsloc); CHKERRQ(ierr);
723   ierr = VecZeroEntries(rhsloc); CHKERRQ(ierr);
724   ierr = VecGetArray(rhsloc, &r); CHKERRQ(ierr);
725   CeedVectorSetArray(rhsceed, CEED_MEM_HOST, CEED_USE_POINTER, r);
726 
727   // Setup qdata, rhs, and target
728   CeedOperatorApply(op_setup, xcoord, qdata, CEED_REQUEST_IMMEDIATE);
729   ierr = CeedVectorSyncArray(rhsceed, CEED_MEM_HOST); CHKERRQ(ierr);
730   CeedVectorDestroy(&xcoord);
731 
732   // Gather RHS
733   ierr = VecRestoreArray(rhsloc, &r); CHKERRQ(ierr);
734   ierr = VecZeroEntries(rhs); CHKERRQ(ierr);
735   ierr = VecScatterBegin(ltog, rhsloc, rhs, ADD_VALUES, SCATTER_FORWARD);
736   CHKERRQ(ierr);
737   ierr = VecScatterEnd(ltog, rhsloc, rhs, ADD_VALUES, SCATTER_FORWARD);
738   CHKERRQ(ierr);
739   CeedVectorDestroy(&rhsceed);
740 
741   ierr = KSPCreate(comm, &ksp); CHKERRQ(ierr);
742   {
743     PC pc;
744     ierr = KSPGetPC(ksp, &pc); CHKERRQ(ierr);
745     if (bpChoice == CEED_BP1 || bpChoice == CEED_BP2) {
746       ierr = PCSetType(pc, PCJACOBI); CHKERRQ(ierr);
747       ierr = PCJacobiSetType(pc, PC_JACOBI_ROWSUM); CHKERRQ(ierr);
748     } else {
749       ierr = PCSetType(pc, PCNONE); CHKERRQ(ierr);
750     }
751     ierr = KSPSetType(ksp, KSPCG); CHKERRQ(ierr);
752     ierr = KSPSetNormType(ksp, KSP_NORM_NATURAL); CHKERRQ(ierr);
753     ierr = KSPSetTolerances(ksp, 1e-10, PETSC_DEFAULT, PETSC_DEFAULT,
754                             PETSC_DEFAULT); CHKERRQ(ierr);
755   }
756   ierr = KSPSetFromOptions(ksp); CHKERRQ(ierr);
757   ierr = KSPSetOperators(ksp, mat, mat); CHKERRQ(ierr);
758   // First run, if benchmarking
759   if (benchmark_mode) {
760     ierr = KSPSetTolerances(ksp, 1e-10, PETSC_DEFAULT, PETSC_DEFAULT, 1);
761     CHKERRQ(ierr);
762     my_rt_start = MPI_Wtime();
763     ierr = KSPSolve(ksp, rhs, X); CHKERRQ(ierr);
764     my_rt = MPI_Wtime() - my_rt_start;
765     MPI_Allreduce(MPI_IN_PLACE, &my_rt, 1, MPI_DOUBLE, MPI_MIN, comm);
766     // Set maxits based on first iteration timing
767     if (my_rt > 0.02) {
768       ierr = KSPSetTolerances(ksp, 1e-10, PETSC_DEFAULT, PETSC_DEFAULT, 5);
769       CHKERRQ(ierr);
770     } else {
771       ierr = KSPSetTolerances(ksp, 1e-10, PETSC_DEFAULT, PETSC_DEFAULT, 20);
772       CHKERRQ(ierr);
773     }
774   }
775   // Timed solve
776   ierr = PetscBarrier((PetscObject)ksp); CHKERRQ(ierr);
777   my_rt_start = MPI_Wtime();
778   ierr = KSPSolve(ksp, rhs, X); CHKERRQ(ierr);
779   my_rt = MPI_Wtime() - my_rt_start;
780   {
781     KSPType ksptype;
782     KSPConvergedReason reason;
783     PetscReal rnorm;
784     PetscInt its;
785     ierr = KSPGetType(ksp, &ksptype); CHKERRQ(ierr);
786     ierr = KSPGetConvergedReason(ksp, &reason); CHKERRQ(ierr);
787     ierr = KSPGetIterationNumber(ksp, &its); CHKERRQ(ierr);
788     ierr = KSPGetResidualNorm(ksp, &rnorm); CHKERRQ(ierr);
789     if (!test_mode || reason < 0 || rnorm > 1e-8) {
790       ierr = PetscPrintf(comm,
791                          "  KSP:\n"
792                          "    KSP Type                           : %s\n"
793                          "    KSP Convergence                    : %s\n"
794                          "    Total KSP Iterations               : %D\n"
795                          "    Final rnorm                        : %e\n",
796                          ksptype, KSPConvergedReasons[reason], its,
797                          (double)rnorm); CHKERRQ(ierr);
798     }
799     if (benchmark_mode && (!test_mode)) {
800       CeedInt gsize;
801       ierr = VecGetSize(X, &gsize); CHKERRQ(ierr);
802       MPI_Allreduce(&my_rt, &rt_min, 1, MPI_DOUBLE, MPI_MIN, comm);
803       MPI_Allreduce(&my_rt, &rt_max, 1, MPI_DOUBLE, MPI_MAX, comm);
804       ierr = PetscPrintf(comm,
805                          "  Performance:\n"
806                          "    CG Solve Time                      : %g (%g) sec\n"
807                          "    DoFs/Sec in CG                     : %g (%g) million\n",
808                          rt_max, rt_min, 1e-6*gsize*its/rt_max,
809                          1e-6*gsize*its/rt_min); CHKERRQ(ierr);
810     }
811   }
812 
813   {
814     PetscReal maxerror;
815     ierr = ComputeErrorMax(user, op_error, X, target, &maxerror); CHKERRQ(ierr);
816     PetscReal tol = (bpChoice == CEED_BP1 || bpChoice == CEED_BP2) ? 5e-3 : 5e-2;
817     if (!test_mode || maxerror > tol) {
818       ierr = PetscPrintf(comm,
819                          "    Pointwise Error (max)              : %e\n",
820                          (double)maxerror); CHKERRQ(ierr);
821     }
822   }
823 
824   if (write_solution) {
825     PetscViewer vtkviewersoln;
826 
827     ierr = PetscViewerCreate(comm, &vtkviewersoln); CHKERRQ(ierr);
828     ierr = PetscViewerSetType(vtkviewersoln, PETSCVIEWERVTK); CHKERRQ(ierr);
829     ierr = PetscViewerFileSetName(vtkviewersoln, "solution.vtk"); CHKERRQ(ierr);
830     ierr = VecView(X, vtkviewersoln); CHKERRQ(ierr);
831     ierr = PetscViewerDestroy(&vtkviewersoln); CHKERRQ(ierr);
832   }
833 
834   ierr = VecDestroy(&rhs); CHKERRQ(ierr);
835   ierr = VecDestroy(&rhsloc); CHKERRQ(ierr);
836   ierr = VecDestroy(&X); CHKERRQ(ierr);
837   ierr = VecDestroy(&user->Xloc); CHKERRQ(ierr);
838   ierr = VecDestroy(&user->Yloc); CHKERRQ(ierr);
839   ierr = VecScatterDestroy(&ltog); CHKERRQ(ierr);
840   ierr = VecScatterDestroy(&ltog0); CHKERRQ(ierr);
841   ierr = VecScatterDestroy(&gtogD); CHKERRQ(ierr);
842   ierr = MatDestroy(&mat); CHKERRQ(ierr);
843   ierr = KSPDestroy(&ksp); CHKERRQ(ierr);
844 
845   CeedVectorDestroy(&user->xceed);
846   CeedVectorDestroy(&user->yceed);
847   CeedVectorDestroy(&user->qdata);
848   CeedVectorDestroy(&target);
849   CeedOperatorDestroy(&op_setup);
850   CeedOperatorDestroy(&op_apply);
851   CeedOperatorDestroy(&op_error);
852   CeedElemRestrictionDestroy(&Erestrictu);
853   CeedElemRestrictionDestroy(&Erestrictx);
854   CeedElemRestrictionDestroy(&Erestrictui);
855   CeedElemRestrictionDestroy(&Erestrictxi);
856   CeedElemRestrictionDestroy(&Erestrictqdi);
857   CeedQFunctionDestroy(&qf_setup);
858   CeedQFunctionDestroy(&qf_apply);
859   CeedQFunctionDestroy(&qf_error);
860   CeedBasisDestroy(&basisu);
861   CeedBasisDestroy(&basisx);
862   CeedDestroy(&ceed);
863   ierr = PetscFree(user); CHKERRQ(ierr);
864   return PetscFinalize();
865 }
866