src/brains/SimInfo.cpp

/*
 * Copyright (C) 2000-2004  Object Oriented Parallel Simulation Engine (OOPSE) project
 * 
 * Contact: oopse@oopse.org
 * 
 * This program is free software; you can redistribute it and/or
 * modify it under the terms of the GNU Lesser General Public License
 * as published by the Free Software Foundation; either version 2.1
 * of the License, or (at your option) any later version.
 * All we ask is that proper credit is given for our work, which includes
 * - but is not limited to - adding the above copyright notice to the beginning
 * of your source code files, and to any copyright notice that you may distribute
 * with programs based on this work.
 * 
 * This program is distributed in the hope that it will be useful,
 * but WITHOUT ANY WARRANTY; without even the implied warranty of
 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
 * GNU Lesser General Public License for more details.
 * 
 * You should have received a copy of the GNU Lesser General Public License
 * along with this program; if not, write to the Free Software
 * Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA  02111-1307, USA.
 *
 */

/**
 * @file SimInfo.cpp
 * @author    tlin
 * @date  11/02/2004
 * @version 1.0
 */

#include <algorithm>

#include "brains/SimInfo.hpp"
#include "utils/MemoryUtils.hpp"

namespace oopse {

SimInfo::SimInfo() : nAtoms_(0), nBonds_(0), nBends_(0), nTorsions_(0), nRigidBodies_(0), 
        nIntegrableObjects_(0), nCutoffGroups_(0), nConstraints_(0), sman_(NULL){

}

SimInfo::~SimInfo() {
    //MemoryUtils::deleteVectorOfPointer(molecules_);
    delete sman_;

}


bool SimInfo::addMolecule(Molecule* mol) {
    MoleculeIterator i;
    i = std::find(molecules_.begin(), molecules_.end(), mol);
    if (i != molecules_.end() ) {

        molecules_.insert(make_pair(mol->getGlobalIndex(), mol));
        
        nAtoms_ += mol->getNAtoms();
        nBonds_ += mol->getNBonds();
        nBends_ += mol->getNBends();
        nTorsions_ += mol->getNTorsions();
        nRigidBodies_ += mol->getNRigidBodies();
        nIntegrableObjects_ += mol->getNIntegrableObjects();
        nCutoffGroups_ += mol->getNCutoffGroups();
        nConstraints_ += mol->getNConstraints();

        return true;
    } else {
        return false;
    }
}

bool SimInfo::removeMolecule(Molecule* mol) {
    MoleculeIterator i;
    i = std::find(molecules_.begin(), molecules_.end(), mol);

    if (i != molecules_.end() ) {

        nAtoms_ -= mol->getNAtoms();
        nBonds_ -= mol->getNBonds();
        nBends_ -= mol->getNBends();
        nTorsions_ -= mol->getNTorsions();
        nRigidBodies_ -= mol->getNRigidBodies();
        nIntegrableObjects_ -= mol->getNIntegrableObjects();
        nCutoffGroups_ -= mol->getNCutoffGroups();
        nConstraints_ -= mol->getNConstraints();

        molecules_.erase(mol->getGlobalIndex());

        delete mol;
        
        return true;
    } else {
        return false;
    }


}    

        
Molecule* SimInfo::beginMolecule(MoleculeIterator& i) {
    i = molecules_.begin();
    return i == molecules_.end() ? NULL : *i;
}    

Molecule* SimInfo::nextMolecule(MoleculeIterator& i) {
    ++i;
    return i == molecules_.end() ? NULL : *i;    
}


void SimInfo::calcNdf() {
    int ndf_local;
    MoleculeIterator i;
    std::vector<StuntDouble*>::iterator j;
    Molecule* mol;
    StuntDouble* integrableObject;

    ndf_local = 0;
    
    for (mol = beginMolecule(i); mol != NULL; mol = nextMolecule(i)) {
        for (integrableObject = mol->beginIntegrableObject(j); integrableObject != NULL; 
               integrableObject = mol->nextIntegrableObject(j)) {

            ndf_local += 3;

            if (integrableObject->isDirectional()) {
                if (integrableObject->isLinear()) {
                    ndf_local += 2;
                } else {
                    ndf_local += 3;
                }
            }
            
        }//end for (integrableObject)
    }// end for (mol)
    
    // n_constraints is local, so subtract them on each processor
    ndf_local -= nConstraints_;

#ifdef IS_MPI
    MPI_Allreduce(&ndf_local,&ndf_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
#else
    ndf_ = ndf_local;
#endif

    // nZconstraints is global, as are the 3 COM translations for the 
    // entire system:
    ndf_ = ndf_ - 3 - nZconstraints;

}

void SimInfo::calcNdfRaw() {
    int ndfRaw_local;

    MoleculeIterator i;
    std::vector<StuntDouble*>::iterator j;
    Molecule* mol;
    StuntDouble* integrableObject;

    // Raw degrees of freedom that we have to set
    ndfRaw_local = 0;
    
    for (mol = beginMolecule(i); mol != NULL; mol = nextMolecule(i)) {
        for (integrableObject = mol->beginIntegrableObject(j); integrableObject != NULL;
               integrableObject = mol->nextIntegrableObject(j)) {

            ndfRaw_local += 3;

            if (integrableObject->isDirectional()) {
                if (integrableObject->isLinear()) {
                    ndfRaw_local += 2;
                } else {
                    ndfRaw_local += 3;
                }
            }
            
        }
    }
    
#ifdef IS_MPI
    MPI_Allreduce(&ndfRaw_local,&ndfRaw_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
#else
    ndfRaw_ = ndfRaw_local;
#endif
}

void SimInfo::calcNdfTrans() {
    int ndfTrans_local;

    ndfTrans_local = 3 * nIntegrableObjects_ - nConstraints_;


#ifdef IS_MPI
    MPI_Allreduce(&ndfTrans_local,&ndfTrans_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
#else
    ndfTrans_ = ndfTrans_local;
#endif

    ndfTrans_ = ndfTrans_ - 3 - nZconstraints;
 
}

void SimInfo::addExcludePairs(Molecule* mol) {
    std::vector<Bond*>::iterator bondIter;
    std::vector<Bend*>::iterator bendIter;
    std::vector<Torsion*>::iterator torsionIter;
    Bond* bond;
    Bend* bend;
    Torsion* torsion;
    int a;
    int b;
    int c;
    int d;
    
    for (bond= mol->beginBond(bondIter); bond != NULL; bond = mol->nextBond(bondIter)) {
        a = bond->getAtomA()->getGlobalIndex();
        b = bond->getAtomB()->getGlobalIndex();        
        exclude_.addPair(a, b);
    }

    for (bend= mol->beginBend(bendIter); bend != NULL; bend = mol->nextBend(bendIter)) {
        a = bend->getAtomA()->getGlobalIndex();
        b = bend->getAtomB()->getGlobalIndex();        
        c = bend->getAtomC()->getGlobalIndex();

        exclude_.addPair(a, b);
        exclude_.addPair(a, c);
        exclude_.addPair(b, c);        
    }

    for (torsion= mol->beginTorsion(torsionIter); torsion != NULL; torsion = mol->nextBond(torsionIter)) {
        a = torsion->getAtomA()->getGlobalIndex();
        b = torsion->getAtomB()->getGlobalIndex();        
        c = torsion->getAtomC()->getGlobalIndex();        
        d = torsion->getAtomD()->getGlobalIndex();        

        exclude_.addPair(a, b);
        exclude_.addPair(a, c);
        exclude_.addPair(a, d);
        exclude_.addPair(b, c);
        exclude_.addPair(b, d);
        exclude_.addPair(c, d);        
    }

    
}

void SimInfo::removeExcludePairs(Molecule* mol) {
    std::vector<Bond*>::iterator bondIter;
    std::vector<Bend*>::iterator bendIter;
    std::vector<Torsion*>::iterator torsionIter;
    Bond* bond;
    Bend* bend;
    Torsion* torsion;
    int a;
    int b;
    int c;
    int d;
    
    for (bond= mol->beginBond(bondIter); bond != NULL; bond = mol->nextBond(bondIter)) {
        a = bond->getAtomA()->getGlobalIndex();
        b = bond->getAtomB()->getGlobalIndex();        
        exclude_.removePair(a, b);
    }

    for (bend= mol->beginBend(bendIter); bend != NULL; bend = mol->nextBend(bendIter)) {
        a = bend->getAtomA()->getGlobalIndex();
        b = bend->getAtomB()->getGlobalIndex();        
        c = bend->getAtomC()->getGlobalIndex();

        exclude_.removePair(a, b);
        exclude_.removePair(a, c);
        exclude_.removePair(b, c);        
    }

    for (torsion= mol->beginTorsion(torsionIter); torsion != NULL; torsion = mol->nextBond(torsionIter)) {
        a = torsion->getAtomA()->getGlobalIndex();
        b = torsion->getAtomB()->getGlobalIndex();        
        c = torsion->getAtomC()->getGlobalIndex();        
        d = torsion->getAtomD()->getGlobalIndex();        

        exclude_.removePair(a, b);
        exclude_.removePair(a, c);
        exclude_.removePair(a, d);
        exclude_.removePair(b, c);
        exclude_.removePair(b, d);
        exclude_.removePair(c, d);        
    }

}


void SimInfo::addMoleculeStamp(MoleculeStamp* molStamp, int nmol) {
    int curStampId;

    //index from 0
    curStampId = molStampIds_.size();

    moleculeStamps_.push_back(molStamp);
    molStampIds_.insert(molStampIds_.end(), nmol, curStampId)
}

void SimInfo::update() {


    //SimInfo is responsible for creating localToGlobalAtomIndex and localToGlobalGroupIndex
    std::vector<int> localToGlobalAtomIndex(getNAtoms(), 0);
    std::vector<int> localToGlobalCutoffGroupIndex;
    typename SimInfo::MoleculeIterator mi;
    typename Molecule::AtomIterator ai;
    typename Molecule::CutoffGroupIterator ci;
    Molecule* mol;
    Atom* atom;
    CutoffGroup* cg;
    mpiSimData parallelData;
    int isError;

    for (mol = beginMolecule(mi); mol != NULL; mol  = nextMolecule(mi)) {

        //local index(index in DataStorge) of atom is important
        for (atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) {
            localToGlobalAtomIndex[atom->getLocalIndex()] = atom->getGlobalIndex() + 1;
        }

        //local index of cutoff group is trivial, it only depends on the order of travesing
        for (cg = mol->beginCutoffGroup(ci); cg != NULL; cg = mol->nextCutoffGroup(ci)) {
            localToGlobalCutoffGroupIndex.push_back(cg->getGlobalIndex() + 1);
        }        
        
    }

    //Setup Parallel Data and pass the index arrays to fortran
    parallelData.nMolGlobal = getNMolGlobal();
    parallelData.nMolLocal = ;
    parallelData.nAtomsGlobal = ;
    parallelData.nAtomsLocal = ;
    parallelData.nGroupsGlobal = ;
    parallelData.nGroupsLocal = ;
    parallelData.myNode = worldRank;
    MPI_Comm_size(MPI_COMM_WORLD, &(parallelData->nProcessors));
    
    setFsimParallel(parallelData,            &(parallelData->nAtomsLocal),
                    &localToGlobalAtomIndex[0],  &(parallelData->nGroupsLocal),
                    &localToGlobalCutoffGroupIndex[0], &isError);

    if (isError) {
        sprintf(painCave.errMsg,
                "mpiRefresh errror: fortran didn't like something we gave it.\n");
        painCave.isFatal = 1;
        simError();
    }

    sprintf(checkPointMsg, " mpiRefresh successful.\n");
    MPIcheckPoint();


}

std::ostream& operator <<(ostream& o, SimInfo& info) {

    return o;
}

}//end namespace oopse
Revision:	1727
Committed:	Thu Nov 11 16:41:58 2004 UTC (19 years, 7 months ago) by tim
File size:	10763 byte(s)
Log Message:	add Snapshot.cpp, remove useless mpiSimulation
#	Content
1	/*
2	* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project
3	*
4	* Contact: oopse@oopse.org
5	*
6	* This program is free software; you can redistribute it and/or
7	* modify it under the terms of the GNU Lesser General Public License
8	* as published by the Free Software Foundation; either version 2.1
9	* of the License, or (at your option) any later version.
10	* All we ask is that proper credit is given for our work, which includes
11	* - but is not limited to - adding the above copyright notice to the beginning
12	* of your source code files, and to any copyright notice that you may distribute
13	* with programs based on this work.
14	*
15	* This program is distributed in the hope that it will be useful,
16	* but WITHOUT ANY WARRANTY; without even the implied warranty of
17	* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18	* GNU Lesser General Public License for more details.
19	*
20	* You should have received a copy of the GNU Lesser General Public License
21	* along with this program; if not, write to the Free Software
22	* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA.
23	*
24	*/
25
26	/**
27	* @file SimInfo.cpp
28	* @author tlin
29	* @date 11/02/2004
30	* @version 1.0
31	*/
32
33	#include <algorithm>
34
35	#include "brains/SimInfo.hpp"
36	#include "utils/MemoryUtils.hpp"
37
38	namespace oopse {
39
40	SimInfo::SimInfo() : nAtoms_(0), nBonds_(0), nBends_(0), nTorsions_(0), nRigidBodies_(0),
41	nIntegrableObjects_(0), nCutoffGroups_(0), nConstraints_(0), sman_(NULL){
42
43	}
44
45	SimInfo::~SimInfo() {
46	//MemoryUtils::deleteVectorOfPointer(molecules_);
47	delete sman_;
48
49	}
50
51
52	bool SimInfo::addMolecule(Molecule* mol) {
53	MoleculeIterator i;
54	i = std::find(molecules_.begin(), molecules_.end(), mol);
55	if (i != molecules_.end() ) {
56
57	molecules_.insert(make_pair(mol->getGlobalIndex(), mol));
58
59	nAtoms_ += mol->getNAtoms();
60	nBonds_ += mol->getNBonds();
61	nBends_ += mol->getNBends();
62	nTorsions_ += mol->getNTorsions();
63	nRigidBodies_ += mol->getNRigidBodies();
64	nIntegrableObjects_ += mol->getNIntegrableObjects();
65	nCutoffGroups_ += mol->getNCutoffGroups();
66	nConstraints_ += mol->getNConstraints();
67
68	return true;
69	} else {
70	return false;
71	}
72	}
73
74	bool SimInfo::removeMolecule(Molecule* mol) {
75	MoleculeIterator i;
76	i = std::find(molecules_.begin(), molecules_.end(), mol);
77
78	if (i != molecules_.end() ) {
79
80	nAtoms_ -= mol->getNAtoms();
81	nBonds_ -= mol->getNBonds();
82	nBends_ -= mol->getNBends();
83	nTorsions_ -= mol->getNTorsions();
84	nRigidBodies_ -= mol->getNRigidBodies();
85	nIntegrableObjects_ -= mol->getNIntegrableObjects();
86	nCutoffGroups_ -= mol->getNCutoffGroups();
87	nConstraints_ -= mol->getNConstraints();
88
89	molecules_.erase(mol->getGlobalIndex());
90
91	delete mol;
92
93	return true;
94	} else {
95	return false;
96	}
97
98
99	}
100
101
102	Molecule* SimInfo::beginMolecule(MoleculeIterator& i) {
103	i = molecules_.begin();
104	return i == molecules_.end() ? NULL : *i;
105	}
106
107	Molecule* SimInfo::nextMolecule(MoleculeIterator& i) {
108	++i;
109	return i == molecules_.end() ? NULL : *i;
110	}
111
112
113	void SimInfo::calcNdf() {
114	int ndf_local;
115	MoleculeIterator i;
116	std::vector<StuntDouble*>::iterator j;
117	Molecule* mol;
118	StuntDouble* integrableObject;
119
120	ndf_local = 0;
121
122	for (mol = beginMolecule(i); mol != NULL; mol = nextMolecule(i)) {
123	for (integrableObject = mol->beginIntegrableObject(j); integrableObject != NULL;
124	integrableObject = mol->nextIntegrableObject(j)) {
125
126	ndf_local += 3;
127
128	if (integrableObject->isDirectional()) {
129	if (integrableObject->isLinear()) {
130	ndf_local += 2;
131	} else {
132	ndf_local += 3;
133	}
134	}
135
136	}//end for (integrableObject)
137	}// end for (mol)
138
139	// n_constraints is local, so subtract them on each processor
140	ndf_local -= nConstraints_;
141
142	#ifdef IS_MPI
143	MPI_Allreduce(&ndf_local,&ndf_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
144	#else
145	ndf_ = ndf_local;
146	#endif
147
148	// nZconstraints is global, as are the 3 COM translations for the
149	// entire system:
150	ndf_ = ndf_ - 3 - nZconstraints;
151
152	}
153
154	void SimInfo::calcNdfRaw() {
155	int ndfRaw_local;
156
157	MoleculeIterator i;
158	std::vector<StuntDouble*>::iterator j;
159	Molecule* mol;
160	StuntDouble* integrableObject;
161
162	// Raw degrees of freedom that we have to set
163	ndfRaw_local = 0;
164
165	for (mol = beginMolecule(i); mol != NULL; mol = nextMolecule(i)) {
166	for (integrableObject = mol->beginIntegrableObject(j); integrableObject != NULL;
167	integrableObject = mol->nextIntegrableObject(j)) {
168
169	ndfRaw_local += 3;
170
171	if (integrableObject->isDirectional()) {
172	if (integrableObject->isLinear()) {
173	ndfRaw_local += 2;
174	} else {
175	ndfRaw_local += 3;
176	}
177	}
178
179	}
180	}
181
182	#ifdef IS_MPI
183	MPI_Allreduce(&ndfRaw_local,&ndfRaw_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
184	#else
185	ndfRaw_ = ndfRaw_local;
186	#endif
187	}
188
189	void SimInfo::calcNdfTrans() {
190	int ndfTrans_local;
191
192	ndfTrans_local = 3 * nIntegrableObjects_ - nConstraints_;
193
194
195	#ifdef IS_MPI
196	MPI_Allreduce(&ndfTrans_local,&ndfTrans_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD);
197	#else
198	ndfTrans_ = ndfTrans_local;
199	#endif
200
201	ndfTrans_ = ndfTrans_ - 3 - nZconstraints;
202
203	}
204
205	void SimInfo::addExcludePairs(Molecule* mol) {
206	std::vector<Bond*>::iterator bondIter;
207	std::vector<Bend*>::iterator bendIter;
208	std::vector<Torsion*>::iterator torsionIter;
209	Bond* bond;
210	Bend* bend;
211	Torsion* torsion;
212	int a;
213	int b;
214	int c;
215	int d;
216
217	for (bond= mol->beginBond(bondIter); bond != NULL; bond = mol->nextBond(bondIter)) {
218	a = bond->getAtomA()->getGlobalIndex();
219	b = bond->getAtomB()->getGlobalIndex();
220	exclude_.addPair(a, b);
221	}
222
223	for (bend= mol->beginBend(bendIter); bend != NULL; bend = mol->nextBend(bendIter)) {
224	a = bend->getAtomA()->getGlobalIndex();
225	b = bend->getAtomB()->getGlobalIndex();
226	c = bend->getAtomC()->getGlobalIndex();
227
228	exclude_.addPair(a, b);
229	exclude_.addPair(a, c);
230	exclude_.addPair(b, c);
231	}
232
233	for (torsion= mol->beginTorsion(torsionIter); torsion != NULL; torsion = mol->nextBond(torsionIter)) {
234	a = torsion->getAtomA()->getGlobalIndex();
235	b = torsion->getAtomB()->getGlobalIndex();
236	c = torsion->getAtomC()->getGlobalIndex();
237	d = torsion->getAtomD()->getGlobalIndex();
238
239	exclude_.addPair(a, b);
240	exclude_.addPair(a, c);
241	exclude_.addPair(a, d);
242	exclude_.addPair(b, c);
243	exclude_.addPair(b, d);
244	exclude_.addPair(c, d);
245	}
246
247
248	}
249
250	void SimInfo::removeExcludePairs(Molecule* mol) {
251	std::vector<Bond*>::iterator bondIter;
252	std::vector<Bend*>::iterator bendIter;
253	std::vector<Torsion*>::iterator torsionIter;
254	Bond* bond;
255	Bend* bend;
256	Torsion* torsion;
257	int a;
258	int b;
259	int c;
260	int d;
261
262	for (bond= mol->beginBond(bondIter); bond != NULL; bond = mol->nextBond(bondIter)) {
263	a = bond->getAtomA()->getGlobalIndex();
264	b = bond->getAtomB()->getGlobalIndex();
265	exclude_.removePair(a, b);
266	}
267
268	for (bend= mol->beginBend(bendIter); bend != NULL; bend = mol->nextBend(bendIter)) {
269	a = bend->getAtomA()->getGlobalIndex();
270	b = bend->getAtomB()->getGlobalIndex();
271	c = bend->getAtomC()->getGlobalIndex();
272
273	exclude_.removePair(a, b);
274	exclude_.removePair(a, c);
275	exclude_.removePair(b, c);
276	}
277
278	for (torsion= mol->beginTorsion(torsionIter); torsion != NULL; torsion = mol->nextBond(torsionIter)) {
279	a = torsion->getAtomA()->getGlobalIndex();
280	b = torsion->getAtomB()->getGlobalIndex();
281	c = torsion->getAtomC()->getGlobalIndex();
282	d = torsion->getAtomD()->getGlobalIndex();
283
284	exclude_.removePair(a, b);
285	exclude_.removePair(a, c);
286	exclude_.removePair(a, d);
287	exclude_.removePair(b, c);
288	exclude_.removePair(b, d);
289	exclude_.removePair(c, d);
290	}
291
292	}
293
294
295	void SimInfo::addMoleculeStamp(MoleculeStamp* molStamp, int nmol) {
296	int curStampId;
297
298	//index from 0
299	curStampId = molStampIds_.size();
300
301	moleculeStamps_.push_back(molStamp);
302	molStampIds_.insert(molStampIds_.end(), nmol, curStampId)
303	}
304
305	void SimInfo::update() {
306
307
308
309	//SimInfo is responsible for creating localToGlobalAtomIndex and localToGlobalGroupIndex
310	std::vector<int> localToGlobalAtomIndex(getNAtoms(), 0);
311	std::vector<int> localToGlobalCutoffGroupIndex;
312	typename SimInfo::MoleculeIterator mi;
313	typename Molecule::AtomIterator ai;
314	typename Molecule::CutoffGroupIterator ci;
315	Molecule* mol;
316	Atom* atom;
317	CutoffGroup* cg;
318	mpiSimData parallelData;
319	int isError;
320
321	for (mol = beginMolecule(mi); mol != NULL; mol = nextMolecule(mi)) {
322
323	//local index(index in DataStorge) of atom is important
324	for (atom = mol->beginAtom(ai); atom != NULL; atom = mol->nextAtom(ai)) {
325	localToGlobalAtomIndex[atom->getLocalIndex()] = atom->getGlobalIndex() + 1;
326	}
327
328	//local index of cutoff group is trivial, it only depends on the order of travesing
329	for (cg = mol->beginCutoffGroup(ci); cg != NULL; cg = mol->nextCutoffGroup(ci)) {
330	localToGlobalCutoffGroupIndex.push_back(cg->getGlobalIndex() + 1);
331	}
332
333	}
334
335	//Setup Parallel Data and pass the index arrays to fortran
336	parallelData.nMolGlobal = getNMolGlobal();
337	parallelData.nMolLocal = ;
338	parallelData.nAtomsGlobal = ;
339	parallelData.nAtomsLocal = ;
340	parallelData.nGroupsGlobal = ;
341	parallelData.nGroupsLocal = ;
342	parallelData.myNode = worldRank;
343	MPI_Comm_size(MPI_COMM_WORLD, &(parallelData->nProcessors));
344
345	setFsimParallel(parallelData, &(parallelData->nAtomsLocal),
346	&localToGlobalAtomIndex[0], &(parallelData->nGroupsLocal),
347	&localToGlobalCutoffGroupIndex[0], &isError);
348
349	if (isError) {
350	sprintf(painCave.errMsg,
351	"mpiRefresh errror: fortran didn't like something we gave it.\n");
352	painCave.isFatal = 1;
353	simError();
354	}
355
356	sprintf(checkPointMsg, " mpiRefresh successful.\n");
357	MPIcheckPoint();
358
359
360	}
361
362	std::ostream& operator <<(ostream& o, SimInfo& info) {
363
364	return o;
365	}
366
367	}//end namespace oopse