Actual source code: basicsymplectic.c
petsc-3.13.6 2020-09-29
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      1: /*
      2:   Code for Timestepping with basic symplectic integrators for separable Hamiltonian systems
      3: */
      4:  #include <petsc/private/tsimpl.h>
      5:  #include <petscdm.h>

      7: static TSBasicSymplecticType TSBasicSymplecticDefault = TSBASICSYMPLECTICSIEULER;
      8: static PetscBool TSBasicSymplecticRegisterAllCalled;
      9: static PetscBool TSBasicSymplecticPackageInitialized;

     11: typedef struct _BasicSymplecticScheme *BasicSymplecticScheme;
     12: typedef struct _BasicSymplecticSchemeLink *BasicSymplecticSchemeLink;

     14: struct _BasicSymplecticScheme {
     15:   char      *name;
     16:   PetscInt  order;
     17:   PetscInt  s;       /* number of stages */
     18:   PetscReal *c,*d;
     19: };
     20: struct _BasicSymplecticSchemeLink {
     21:   struct _BasicSymplecticScheme sch;
     22:   BasicSymplecticSchemeLink     next;
     23: };
     24: static BasicSymplecticSchemeLink BasicSymplecticSchemeList;
     25: typedef struct {
     26:   TS                    subts_p,subts_q; /* sub TS contexts that holds the RHSFunction pointers */
     27:   IS                    is_p,is_q; /* IS sets for position and momentum respectively */
     28:   Vec                   update;    /* a nest work vector for generalized coordinates */
     29:   BasicSymplecticScheme scheme;
     30: } TS_BasicSymplectic;

     32: /*MC
     33:   TSBASICSYMPLECTICSIEULER - first order semi-implicit Euler method
     34:   Level: intermediate
     35: .seealso: TSBASICSYMPLECTIC
     36: M*/

     38: /*MC
     39:   TSBASICSYMPLECTICVELVERLET - second order Velocity Verlet method (leapfrog method with starting process and determing velocity and position at the same time)
     40: Level: intermediate
     41: .seealso: TSBASICSYMPLECTIC
     42: M*/

     44: /*@C
     45:   TSBasicSymplecticRegisterAll - Registers all of the basic symplectic integration methods in TSBasicSymplectic

     47:   Not Collective, but should be called by all processes which will need the schemes to be registered

     49:   Level: advanced

     51: .seealso:  TSBasicSymplecticRegisterDestroy()
     52: @*/
     53: PetscErrorCode TSBasicSymplecticRegisterAll(void)
     54: {

     58:   if (TSBasicSymplecticRegisterAllCalled) return(0);
     59:   TSBasicSymplecticRegisterAllCalled = PETSC_TRUE;
     60:   {
     61:     PetscReal c[1] = {1.0},d[1] = {1.0};
     62:     TSBasicSymplecticRegister(TSBASICSYMPLECTICSIEULER,1,1,c,d);
     63:   }
     64:   {
     65:     PetscReal c[2] = {0,1.0},d[2] = {0.5,0.5};
     66:     TSBasicSymplecticRegister(TSBASICSYMPLECTICVELVERLET,2,2,c,d);
     67:   }
     68:   {
     69:     PetscReal c[3] = {1,-2.0/3.0,2.0/3.0},d[3] = {-1.0/24.0,3.0/4.0,7.0/24.0};
     70:     TSBasicSymplecticRegister(TSBASICSYMPLECTIC3,3,3,c,d);
     71:   }
     72:   {
     73: #define CUBE../../../../..OFTWO 1.2599210498948731647672106
     74:     PetscReal c[4] = {1.0/2.0/(2.0-CUBE../../../../..OFTWO),(1.0-CUBE../../../../..OFTWO)/2.0/(2.0-CUBE../../../../..OFTWO),(1.0-CUBE../../../../..OFTWO)/2.0/(2.0-CUBE../../../../..OFTWO),1.0/2.0/(2.0-CUBE../../../../..OFTWO)},d[4] = {1.0/(2.0-CUBE../../../../..OFTWO),-CUBE../../../../..OFTWO/(2.0-CUBE../../../../..OFTWO),1.0/(2.0-CUBE../../../../..OFTWO),0};
     75:     TSBasicSymplecticRegister(TSBASICSYMPLECTIC4,4,4,c,d);
     76:   }
     77:   return(0);
     78: }

     80: /*@C
     81:    TSBasicSymplecticRegisterDestroy - Frees the list of schemes that were registered by TSBasicSymplecticRegister().

     83:    Not Collective

     85:    Level: advanced

     87: .seealso: TSBasicSymplecticRegister(), TSBasicSymplecticRegisterAll()
     88: @*/
     89: PetscErrorCode TSBasicSymplecticRegisterDestroy(void)
     90: {
     91:   PetscErrorCode            ierr;
     92:   BasicSymplecticSchemeLink link;

     95:   while ((link = BasicSymplecticSchemeList)) {
     96:     BasicSymplecticScheme scheme = &link->sch;
     97:     BasicSymplecticSchemeList = link->next;
     98:     PetscFree2(scheme->c,scheme->d);
     99:     PetscFree(scheme->name);
    100:     PetscFree(link);
    101:   }
    102:   TSBasicSymplecticRegisterAllCalled = PETSC_FALSE;
    103:   return(0);
    104: }

    106: /*@C
    107:   TSBasicSymplecticInitializePackage - This function initializes everything in the TSBasicSymplectic package. It is called
    108:   from TSInitializePackage().

    110:   Level: developer

    112: .seealso: PetscInitialize()
    113: @*/
    114: PetscErrorCode TSBasicSymplecticInitializePackage(void)
    115: {

    119:   if (TSBasicSymplecticPackageInitialized) return(0);
    120:   TSBasicSymplecticPackageInitialized = PETSC_TRUE;
    121:   TSBasicSymplecticRegisterAll();
    122:   PetscRegisterFinalize(TSBasicSymplecticFinalizePackage);
    123:   return(0);
    124: }

    126: /*@C
    127:   TSBasicSymplecticFinalizePackage - This function destroys everything in the TSBasicSymplectic package. It is
    128:   called from PetscFinalize().

    130:   Level: developer

    132: .seealso: PetscFinalize()
    133: @*/
    134: PetscErrorCode TSBasicSymplecticFinalizePackage(void)
    135: {

    139:   TSBasicSymplecticPackageInitialized = PETSC_FALSE;
    140:   TSBasicSymplecticRegisterDestroy();
    141:   return(0);
    142: }

    144: /*@C
    145:    TSBasicSymplecticRegister - register a basic symplectic integration scheme by providing the coefficients.

    147:    Not Collective, but the same schemes should be registered on all processes on which they will be used

    149:    Input Parameters:
    150: +  name - identifier for method
    151: .  order - approximation order of method
    152: .  s - number of stages, this is the dimension of the matrices below
    153: .  c - coefficients for updating generalized position (dimension s)
    154: -  d - coefficients for updating generalized momentum (dimension s)

    156:    Notes:
    157:    Several symplectic methods are provided, this function is only needed to create new methods.

    159:    Level: advanced

    161: .seealso: TSBasicSymplectic
    162: @*/
    163: PetscErrorCode TSBasicSymplecticRegister(TSRosWType name,PetscInt order,PetscInt s,PetscReal c[],PetscReal d[])
    164: {
    165:   BasicSymplecticSchemeLink link;
    166:   BasicSymplecticScheme     scheme;
    167:   PetscErrorCode            ierr;

    174:   TSBasicSymplecticInitializePackage();
    175:   PetscNew(&link);
    176:   scheme = &link->sch;
    177:   PetscStrallocpy(name,&scheme->name);
    178:   scheme->order = order;
    179:   scheme->s = s;
    180:   PetscMalloc2(s,&scheme->c,s,&scheme->d);
    181:   PetscArraycpy(scheme->c,c,s);
    182:   PetscArraycpy(scheme->d,d,s);
    183:   link->next = BasicSymplecticSchemeList;
    184:   BasicSymplecticSchemeList = link;
    185:   return(0);
    186: }

    188: /*
    189: The simplified form of the equations are:

    191: $ p_{i+1} = p_i + c_i*g(q_i)*h
    192: $ q_{i+1} = q_i + d_i*f(p_{i+1},t_{i+1})*h

    194: Several symplectic integrators are given below. An illustrative way to use them is to consider a particle with position q and velocity p.

    196: To apply a timestep with values c_{1,2},d_{1,2} to the particle, carry out the following steps:

    198: - Update the velocity of the particle by adding to it its acceleration multiplied by c_1
    199: - Update the position of the particle by adding to it its (updated) velocity multiplied by d_1
    200: - Update the velocity of the particle by adding to it its acceleration (at the updated position) multiplied by c_2
    201: - Update the position of the particle by adding to it its (double-updated) velocity multiplied by d_2

    203: */
    204: static PetscErrorCode TSStep_BasicSymplectic(TS ts)
    205: {
    206:   TS_BasicSymplectic    *bsymp = (TS_BasicSymplectic*)ts->data;
    207:   BasicSymplecticScheme scheme = bsymp->scheme;
    208:   Vec                   solution = ts->vec_sol,update = bsymp->update,q,p,q_update,p_update;
    209:   IS                    is_q = bsymp->is_q,is_p = bsymp->is_p;
    210:   TS                    subts_q = bsymp->subts_q,subts_p = bsymp->subts_p;
    211:   PetscBool             stageok;
    212:   PetscReal             next_time_step = ts->time_step;
    213:   PetscInt              iter;
    214:   PetscErrorCode        ierr;

    217:   VecGetSubVector(solution,is_q,&q);
    218:   VecGetSubVector(solution,is_p,&p);
    219:   VecGetSubVector(update,is_q,&q_update);
    220:   VecGetSubVector(update,is_p,&p_update);

    222:   for (iter = 0;iter<scheme->s;iter++) {
    223:     TSPreStage(ts,ts->ptime);
    224:     /* update velocity p */
    225:     if (scheme->c[iter]) {
    226:       TSComputeRHSFunction(subts_p,ts->ptime,q,p_update);
    227:       VecAXPY(p,scheme->c[iter]*ts->time_step,p_update);
    228:     }
    229:     /* update position q */
    230:     if (scheme->d[iter]) {
    231:       TSComputeRHSFunction(subts_q,ts->ptime,p,q_update);
    232:       VecAXPY(q,scheme->d[iter]*ts->time_step,q_update);
    233:       ts->ptime = ts->ptime+scheme->d[iter]*ts->time_step;
    234:     }
    235:     TSPostStage(ts,ts->ptime,0,&solution);
    236:     TSAdaptCheckStage(ts->adapt,ts,ts->ptime,solution,&stageok);
    237:     if(!stageok) {ts->reason = TS_DIVERGED_STEP_REJECTED; return(0);}
    238:     TSFunctionDomainError(ts,ts->ptime+ts->time_step,update,&stageok);
    239:     if(!stageok) {ts->reason = TS_DIVERGED_STEP_REJECTED; return(0);}
    240:   }

    242:   ts->time_step = next_time_step;
    243:   VecRestoreSubVector(solution,is_q,&q);
    244:   VecRestoreSubVector(solution,is_p,&p);
    245:   VecRestoreSubVector(update,is_q,&q_update);
    246:   VecRestoreSubVector(update,is_p,&p_update);
    247:   return(0);
    248: }

    250: static PetscErrorCode DMCoarsenHook_BasicSymplectic(DM fine,DM coarse,void *ctx)
    251: {
    253:   return(0);
    254: }

    256: static PetscErrorCode DMRestrictHook_BasicSymplectic(DM fine,Mat restrct,Vec rscale,Mat inject,DM coarse,void *ctx)
    257: {
    259:   return(0);
    260: }

    262: static PetscErrorCode DMSubDomainHook_BasicSymplectic(DM dm,DM subdm,void *ctx)
    263: {
    265:   return(0);
    266: }

    268: static PetscErrorCode DMSubDomainRestrictHook_BasicSymplectic(DM dm,VecScatter gscat,VecScatter lscat,DM subdm,void *ctx)
    269: {

    272:   return(0);
    273: }

    275: static PetscErrorCode TSSetUp_BasicSymplectic(TS ts)
    276: {
    277:   TS_BasicSymplectic *bsymp = (TS_BasicSymplectic*)ts->data;
    278:   DM                 dm;
    279:   PetscErrorCode     ierr;

    282:   TSRHSSplitGetIS(ts,"position",&bsymp->is_q);
    283:   TSRHSSplitGetIS(ts,"momentum",&bsymp->is_p);
    284:   if (!bsymp->is_q || !bsymp->is_p) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_USER,"Must set up RHSSplits with TSRHSSplitSetIS() using split names positon and momentum respectively in order to use -ts_type basicsymplectic");
    285:   TSRHSSplitGetSubTS(ts,"position",&bsymp->subts_q);
    286:   TSRHSSplitGetSubTS(ts,"momentum",&bsymp->subts_p);
    287:   if (!bsymp->subts_q || !bsymp->subts_p) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_USER,"Must set up the RHSFunctions for position and momentum using TSRHSSplitSetRHSFunction() or calling TSSetRHSFunction() for each sub-TS");

    289:   VecDuplicate(ts->vec_sol,&bsymp->update);

    291:   TSGetAdapt(ts,&ts->adapt);
    292:   TSAdaptCandidatesClear(ts->adapt); /* make sure to use fixed time stepping */
    293:   TSGetDM(ts,&dm);
    294:   if (dm) {
    295:     DMCoarsenHookAdd(dm,DMCoarsenHook_BasicSymplectic,DMRestrictHook_BasicSymplectic,ts);
    296:     DMSubDomainHookAdd(dm,DMSubDomainHook_BasicSymplectic,DMSubDomainRestrictHook_BasicSymplectic,ts);
    297:   }
    298:   return(0);
    299: }

    301: static PetscErrorCode TSReset_BasicSymplectic(TS ts)
    302: {
    303:   TS_BasicSymplectic *bsymp = (TS_BasicSymplectic*)ts->data;
    304:   PetscErrorCode     ierr;

    307:   VecDestroy(&bsymp->update);
    308:   return(0);
    309: }

    311: static PetscErrorCode TSDestroy_BasicSymplectic(TS ts)
    312: {

    316:   TSReset_BasicSymplectic(ts);
    317:   PetscFree(ts->data);
    318:   return(0);
    319: }

    321: static PetscErrorCode TSSetFromOptions_BasicSymplectic(PetscOptionItems *PetscOptionsObject,TS ts)
    322: {
    323:   TS_BasicSymplectic *bsymp = (TS_BasicSymplectic*)ts->data;
    324:   PetscErrorCode     ierr;

    327:   PetscOptionsHead(PetscOptionsObject,"Basic symplectic integrator options");
    328:   {
    329:     BasicSymplecticSchemeLink link;
    330:     PetscInt                  count,choice;
    331:     PetscBool                 flg;
    332:     const char                **namelist;

    334:     for (link=BasicSymplecticSchemeList,count=0; link; link=link->next,count++) ;
    335:     PetscMalloc1(count,(char***)&namelist);
    336:     for (link=BasicSymplecticSchemeList,count=0; link; link=link->next,count++) namelist[count] = link->sch.name;
    337:     PetscOptionsEList("-ts_basicsymplectic_type","Family of basic symplectic integration method","TSBasicSymplecticSetType",(const char*const*)namelist,count,bsymp->scheme->name,&choice,&flg);
    338:     if (flg) {TSBasicSymplecticSetType(ts,namelist[choice]);}
    339:     PetscFree(namelist);
    340:   }
    341:   PetscOptionsTail();
    342:   return(0);
    343: }

    345: static PetscErrorCode TSView_BasicSymplectic(TS ts,PetscViewer viewer)
    346: {
    348:   return(0);
    349: }

    351: static PetscErrorCode TSInterpolate_BasicSymplectic(TS ts,PetscReal t,Vec X)
    352: {
    353:   TS_BasicSymplectic *bsymp = (TS_BasicSymplectic*)ts->data;
    354:   Vec                update = bsymp->update;
    355:   PetscReal          alpha = (ts->ptime - t)/ts->time_step;
    356:   PetscErrorCode     ierr;

    359:   VecWAXPY(X,-ts->time_step,update,ts->vec_sol);
    360:   VecAXPBY(X,1.0-alpha,alpha,ts->vec_sol);
    361:   return(0);
    362: }

    364: static PetscErrorCode TSComputeLinearStability_BasicSymplectic(TS ts,PetscReal xr,PetscReal xi,PetscReal *yr,PetscReal *yi)
    365: {
    367:   *yr = 1.0 + xr;
    368:   *yi = xi;
    369:   return(0);
    370: }

    372: /*@C
    373:   TSBasicSymplecticSetType - Set the type of the basic symplectic method

    375:   Logically Collective on TS

    377:   Input Parameter:
    378: +  ts - timestepping context
    379: -  bsymptype - type of the symplectic scheme

    381:   Options Database:
    382: .  -ts_basicsymplectic_type <scheme>

    384:   Notes:
    385:   The symplectic solver always expects a two-way splitting with the split names being "position" and "momentum". Each split is associated with an IS object and a sub-TS that is intended to store the user-provided RHS function.

    387:   Level: intermediate
    388: @*/
    389: PetscErrorCode TSBasicSymplecticSetType(TS ts,TSBasicSymplecticType bsymptype)
    390: {

    395:   PetscTryMethod(ts,"TSBasicSymplecticSetType_C",(TS,TSBasicSymplecticType),(ts,bsymptype));
    396:   return(0);
    397: }

    399: /*@C
    400:   TSBasicSymplecticGetType - Get the type of the basic symplectic method

    402:   Logically Collective on TS

    404:   Input Parameter:
    405: +  ts - timestepping context
    406: -  bsymptype - type of the basic symplectic scheme

    408:   Level: intermediate
    409: @*/
    410: PetscErrorCode TSBasicSymplecticGetType(TS ts,TSBasicSymplecticType *bsymptype)
    411: {

    416:   PetscUseMethod(ts,"TSBasicSymplecticGetType_C",(TS,TSBasicSymplecticType*),(ts,bsymptype));
    417:   return(0);
    418: }

    420: static PetscErrorCode TSBasicSymplecticSetType_BasicSymplectic(TS ts,TSBasicSymplecticType bsymptype)
    421: {
    422:   TS_BasicSymplectic        *bsymp = (TS_BasicSymplectic*)ts->data;
    423:   BasicSymplecticSchemeLink link;
    424:   PetscBool                 match;
    425:   PetscErrorCode            ierr;

    428:   if (bsymp->scheme) {
    429:     PetscStrcmp(bsymp->scheme->name,bsymptype,&match);
    430:     if (match) return(0);
    431:   }
    432:   for (link = BasicSymplecticSchemeList; link; link=link->next) {
    433:     PetscStrcmp(link->sch.name,bsymptype,&match);
    434:     if (match) {
    435:       bsymp->scheme = &link->sch;
    436:       return(0);
    437:     }
    438:   }
    439:   SETERRQ1(PetscObjectComm((PetscObject)ts),PETSC_ERR_ARG_UNKNOWN_TYPE,"Could not find '%s'",bsymptype);
    440:   return(0);
    441: }

    443: static PetscErrorCode  TSBasicSymplecticGetType_BasicSymplectic(TS ts,TSBasicSymplecticType *bsymptype)
    444: {
    445:   TS_BasicSymplectic *bsymp = (TS_BasicSymplectic*)ts->data;

    448:   *bsymptype = bsymp->scheme->name;
    449:   return(0);
    450: }

    452: /*MC
    453:   TSBasicSymplectic - ODE solver using basic symplectic integration schemes

    455:   These methods are intened for separable Hamiltonian systems

    457: $  qdot = dH(q,p,t)/dp
    458: $  pdot = -dH(q,p,t)/dq

    460:   where the Hamiltonian can be split into the sum of kinetic energy and potential energy

    462: $  H(q,p,t) = T(p,t) + V(q,t).

    464:   As a result, the system can be genearlly represented by

    466: $  qdot = f(p,t) = dT(p,t)/dp
    467: $  pdot = g(q,t) = -dV(q,t)/dq

    469:   and solved iteratively with

    471: $  q_new = q_old + d_i*h*f(p_old,t_old)
    472: $  t_new = t_old + d_i*h
    473: $  p_new = p_old + c_i*h*g(p_new,t_new)
    474: $  i=0,1,...,n.

    476:   The solution vector should contain both q and p, which correspond to (generalized) position and momentum respectively. Note that the momentum component could simply be velocity in some representations.
    477:   The symplectic solver always expects a two-way splitting with the split names being "position" and "momentum". Each split is associated with an IS object and a sub-TS that is intended to store the user-provided RHS function.

    479:   Reference: wikipedia (https://en.wikipedia.org/wiki/Symplectic_integrator)

    481:   Level: beginner

    483: .seealso:  TSCreate(), TSSetType(), TSRHSSplitSetIS(), TSRHSSplitSetRHSFunction()

    485: M*/
    486: PETSC_EXTERN PetscErrorCode TSCreate_BasicSymplectic(TS ts)
    487: {
    488:   TS_BasicSymplectic *bsymp;
    489:   PetscErrorCode     ierr;

    492:   TSBasicSymplecticInitializePackage();
    493:   PetscNewLog(ts,&bsymp);
    494:   ts->data = (void*)bsymp;

    496:   ts->ops->setup           = TSSetUp_BasicSymplectic;
    497:   ts->ops->step            = TSStep_BasicSymplectic;
    498:   ts->ops->reset           = TSReset_BasicSymplectic;
    499:   ts->ops->destroy         = TSDestroy_BasicSymplectic;
    500:   ts->ops->setfromoptions  = TSSetFromOptions_BasicSymplectic;
    501:   ts->ops->view            = TSView_BasicSymplectic;
    502:   ts->ops->interpolate     = TSInterpolate_BasicSymplectic;
    503:   ts->ops->linearstability = TSComputeLinearStability_BasicSymplectic;

    505:   PetscObjectComposeFunction((PetscObject)ts,"TSBasicSymplecticSetType_C",TSBasicSymplecticSetType_BasicSymplectic);
    506:   PetscObjectComposeFunction((PetscObject)ts,"TSBasicSymplecticGetType_C",TSBasicSymplecticGetType_BasicSymplectic);

    508:   TSBasicSymplecticSetType(ts,TSBasicSymplecticDefault);
    509:   return(0);
    510: }