| 47 |  | #include "io/DumpReader.hpp" | 
| 48 |  |  | 
| 49 |  | namespace oopse { | 
| 50 | < | BlockSnapshotManager::BlockSnapshotManager(SimInfo* info, const std::string& filename, | 
| 51 | < | int storageLayout, int blockCapacity) | 
| 50 | > | BlockSnapshotManager::BlockSnapshotManager(SimInfo* info, const std::string& filename, | 
| 51 | > | int storageLayout, int blockCapacity) | 
| 52 |  | : SnapshotManager(storageLayout), info_(info), blockCapacity_(blockCapacity), | 
| 53 |  | activeBlocks_(blockCapacity_, -1), activeRefCount_(blockCapacity_, 0) { | 
| 54 |  |  | 
| 55 | < | nAtoms_ = info->getNGlobalAtoms(); | 
| 56 | < | nRigidBodies_ = info->getNGlobalRigidBodies(); | 
| 55 | > | nAtoms_ = info->getNGlobalAtoms(); | 
| 56 | > | nRigidBodies_ = info->getNGlobalRigidBodies(); | 
| 57 |  |  | 
| 58 | < | double physMem = physmem_total(); | 
| 59 | < | double rssMem = residentMem(); | 
| 60 | < | double avaliablePhysMem = physMem - rssMem; | 
| 61 | < |  | 
| 62 | < | std::cout << "physmem = " << int(physMem) << "\trssMem =  "<< rssMem << "\t availablePhysMem = " << avaliablePhysMem <<std::endl; | 
| 63 | < | int bytesPerStuntDouble = DataStorage::getBytesPerStuntDouble(storageLayout); | 
| 58 | > | RealType physMem = physmem_total(); | 
| 59 | > | RealType rssMem = residentMem(); | 
| 60 | > | RealType avaliablePhysMem = physMem - rssMem; | 
| 61 |  |  | 
| 65 | – | int bytesPerFrame = (nRigidBodies_ + nAtoms_) * bytesPerStuntDouble; | 
| 66 | – |  | 
| 67 | – | int frameCapacity = int (avaliablePhysMem / bytesPerFrame); | 
| 62 |  |  | 
| 63 | < | nSnapshotPerBlock_ = frameCapacity /blockCapacity_ ; | 
| 63 | > | int bytesPerStuntDouble = DataStorage::getBytesPerStuntDouble(storageLayout); | 
| 64 |  |  | 
| 65 | < | reader_ = new DumpReader(info, filename); | 
| 72 | < | nframes_ = reader_->getNFrames(); | 
| 65 | > | int bytesPerFrame = (nRigidBodies_ + nAtoms_) * bytesPerStuntDouble; | 
| 66 |  |  | 
| 67 | < | int nblocks = nframes_ / nSnapshotPerBlock_; | 
| 68 | < | if (nframes_ % nSnapshotPerBlock_ != 0) { | 
| 67 | > | // total number of frames that can fit in memory | 
| 68 | > | RealType frameCapacity = avaliablePhysMem / bytesPerFrame; | 
| 69 | > |  | 
| 70 | > | // number of frames in each block given the need to hold multiple blocks | 
| 71 | > | // in memory at the same time: | 
| 72 | > | nSnapshotPerBlock_ = int(frameCapacity) / blockCapacity_; | 
| 73 | > | reader_ = new DumpReader(info, filename); | 
| 74 | > | nframes_ = reader_->getNFrames(); | 
| 75 | > | int nblocks = nframes_ / nSnapshotPerBlock_; | 
| 76 | > | if (nframes_ % int(nSnapshotPerBlock_) != 0) { | 
| 77 |  | ++nblocks; | 
| 78 | < | } | 
| 78 | > | } | 
| 79 |  |  | 
| 80 | < | for (int i = 0; i < nblocks; ++i) { | 
| 80 | > | for (int i = 0; i < nblocks; ++i) { | 
| 81 |  | blocks_.push_back(SnapshotBlock(i*nSnapshotPerBlock_, (i+1)*nSnapshotPerBlock_)); | 
| 82 | < | } | 
| 83 | < | //the last block may not have nSnapshotPerBlock frames, we need to consider this special situation | 
| 84 | < | blocks_.back().second = nframes_; | 
| 82 | > | } | 
| 83 | > | //the last block may not have nSnapshotPerBlock frames, we need to consider this special situation | 
| 84 | > | blocks_.back().second = nframes_; | 
| 85 |  |  | 
| 86 | < | snapshots_.insert(snapshots_.begin(), nframes_, static_cast<Snapshot*>(NULL)); | 
| 86 | > | snapshots_.insert(snapshots_.begin(), nframes_, static_cast<Snapshot*>(NULL)); | 
| 87 | > |  | 
| 88 | > | std::cout << "-----------------------------------------------------"<<std::endl; | 
| 89 | > | std::cout << "BlockSnapshotManager memory report:" << std::endl; | 
| 90 | > | std::cout << "\n"; | 
| 91 | > | std::cout << " Physical Memory available:\t" << (unsigned long)physMem <<  " bytes" <<std::endl; | 
| 92 | > | std::cout << "    Resident Memory in use:\t" << (unsigned long)rssMem << " bytes" <<std::endl; | 
| 93 | > | std::cout << "Memory available for OOPSE:\t" << (unsigned long)avaliablePhysMem << " bytes" <<std::endl; | 
| 94 | > | std::cout << "     Bytes per StuntDouble:\t" << (unsigned long)bytesPerStuntDouble <<std::endl; | 
| 95 | > | std::cout << "           Bytes per Frame:\t" << (unsigned long)bytesPerFrame <<std::endl; | 
| 96 | > | std::cout << "            Frame Capacity:\t" << (unsigned long)frameCapacity <<std::endl; | 
| 97 | > | std::cout << "      Frames in trajectory:\t" << (unsigned long)nframes_ <<std::endl; | 
| 98 | > | std::cout << "       Snapshots per Block:\t" << (unsigned long)nSnapshotPerBlock_ <<std::endl; | 
| 99 | > | std::cout << "    Total number of Blocks:\t" << (unsigned long)nblocks << std::endl; | 
| 100 | > | std::cout << "-----------------------------------------------------"<<std::endl; | 
| 101 |  |  | 
| 102 | < | } | 
| 102 | > | } | 
| 103 |  |  | 
| 104 |  |  | 
| 105 | < | BlockSnapshotManager::~BlockSnapshotManager() { | 
| 105 | > | BlockSnapshotManager::~BlockSnapshotManager() { | 
| 106 |  | currentSnapshot_ = NULL; | 
| 107 |  | previousSnapshot_ = NULL; | 
| 108 |  |  | 
| 110 |  |  | 
| 111 |  | std::vector<int>::iterator i; | 
| 112 |  | for (i = activeBlocks_.begin(); i != activeBlocks_.end(); ++i) { | 
| 113 | < | if (*i != -1) { | 
| 114 | < | unloadBlock(*i); | 
| 115 | < | } | 
| 113 | > | if (*i != -1) { | 
| 114 | > | unloadBlock(*i); | 
| 115 | > | } | 
| 116 |  | } | 
| 117 | < | } | 
| 117 | > | } | 
| 118 |  |  | 
| 119 | < | int BlockSnapshotManager::getNActiveBlocks() { | 
| 119 | > | Snapshot* BlockSnapshotManager::getSnapshot(int id) { | 
| 120 | > | currentSnapshot_ = snapshots_[id]; | 
| 121 | > | return snapshots_[id]; | 
| 122 | > | } | 
| 123 | > |  | 
| 124 | > | int BlockSnapshotManager::getNActiveBlocks() { | 
| 125 |  | #ifdef __RWSTD | 
| 126 |  | int count = 0; | 
| 127 |  | std::count_if(activeBlocks_.begin(), activeBlocks_.end(), std::bind2nd(std::not_equal_to<int>(), -1), count); | 
| 129 |  | #else | 
| 130 |  | return std::count_if(activeBlocks_.begin(), activeBlocks_.end(), std::bind2nd(std::not_equal_to<int>(), -1)); | 
| 131 |  | #endif | 
| 132 | < | } | 
| 132 | > | } | 
| 133 |  |  | 
| 134 |  |  | 
| 135 |  |  | 
| 136 | < | bool BlockSnapshotManager::loadBlock(int block) { | 
| 136 | > | bool BlockSnapshotManager::loadBlock(int block) { | 
| 137 |  | std::vector<int>::iterator i = findActiveBlock(block); | 
| 138 |  | bool loadSuccess; | 
| 139 |  | if (i != activeBlocks_.end()) { | 
| 140 | < | //if block is already in memory, just increast the reference count | 
| 141 | < | ++activeRefCount_[i - activeBlocks_.begin()]; | 
| 142 | < | loadSuccess = true; | 
| 140 | > | //if block is already in memory, just increast the reference count | 
| 141 | > | ++activeRefCount_[i - activeBlocks_.begin()]; | 
| 142 | > | loadSuccess = true; | 
| 143 |  | } else if (getNActiveBlocks() < blockCapacity_){ | 
| 144 | < | //if number of active blocks is less than the block capacity, just load it | 
| 145 | < | internalLoad(block); | 
| 146 | < | loadSuccess = true; | 
| 144 | > | //if number of active blocks is less than the block capacity, just load it | 
| 145 | > | internalLoad(block); | 
| 146 | > | loadSuccess = true; | 
| 147 |  | } else if (hasZeroRefBlock() > 0) { | 
| 148 | < | //if already reach the block capacity, need to unload a block with 0 reference | 
| 149 | < | int zeroRefBlock = getFirstZeroRefBlock(); | 
| 150 | < | assert(zeroRefBlock != -1); | 
| 151 | < | internalUnload(zeroRefBlock); | 
| 152 | < | internalLoad(block); | 
| 148 | > | //if already reach the block capacity, need to unload a block with 0 reference | 
| 149 | > | int zeroRefBlock = getFirstZeroRefBlock(); | 
| 150 | > | assert(zeroRefBlock != -1); | 
| 151 | > | internalUnload(zeroRefBlock); | 
| 152 | > | internalLoad(block); | 
| 153 |  | } else { | 
| 154 | < | //reach the capacity and all blocks in memory are not zero reference | 
| 155 | < | loadSuccess = false; | 
| 154 | > | //reach the capacity and all blocks in memory are not zero reference | 
| 155 | > | loadSuccess = false; | 
| 156 |  | } | 
| 157 |  |  | 
| 158 |  | return loadSuccess; | 
| 159 | < | } | 
| 159 | > | } | 
| 160 |  |  | 
| 161 | < | bool BlockSnapshotManager::unloadBlock(int block) { | 
| 161 | > | bool BlockSnapshotManager::unloadBlock(int block) { | 
| 162 |  | bool unloadSuccess; | 
| 163 |  | std::vector<int>::iterator i = findActiveBlock(block); | 
| 164 |  |  | 
| 165 |  | if (i != activeBlocks_.end()){ | 
| 166 | < | --activeRefCount_[i - activeBlocks_.begin()]; | 
| 167 | < | if (activeRefCount_[i - activeBlocks_.begin()] < 0) { | 
| 168 | < | //in case, unloadBlock called multiple times | 
| 169 | < | activeRefCount_[i - activeBlocks_.begin()]  = 0; | 
| 170 | < | } | 
| 166 | > | --activeRefCount_[i - activeBlocks_.begin()]; | 
| 167 | > | if (activeRefCount_[i - activeBlocks_.begin()] < 0) { | 
| 168 | > | //in case, unloadBlock called multiple times | 
| 169 | > | activeRefCount_[i - activeBlocks_.begin()]  = 0; | 
| 170 | > | } | 
| 171 |  |  | 
| 172 | < | unloadSuccess = true; | 
| 172 | > | unloadSuccess = true; | 
| 173 |  | } else { | 
| 174 | < | unloadSuccess = false; | 
| 174 | > | unloadSuccess = false; | 
| 175 |  | } | 
| 176 |  |  | 
| 177 |  | return unloadSuccess; | 
| 178 | < | } | 
| 178 | > | } | 
| 179 |  |  | 
| 180 | < | void BlockSnapshotManager::internalLoad(int block) { | 
| 180 | > | void BlockSnapshotManager::internalLoad(int block) { | 
| 181 |  |  | 
| 182 |  | for (int i = blocks_[block].first; i < blocks_[block].second; ++i) { | 
| 183 | < | snapshots_[i] = loadFrame(i); | 
| 183 | > | snapshots_[i] = loadFrame(i); | 
| 184 |  | } | 
| 185 |  |  | 
| 186 |  | std::vector<int>::iterator j; | 
| 188 |  | assert(j != activeBlocks_.end()); | 
| 189 |  | *j = block; | 
| 190 |  | ++activeRefCount_[j - activeBlocks_.begin()]; | 
| 191 | < | } | 
| 191 | > | } | 
| 192 |  |  | 
| 193 | < | void BlockSnapshotManager::internalUnload(int block) { | 
| 193 | > | void BlockSnapshotManager::internalUnload(int block) { | 
| 194 |  | for (int i = blocks_[block].first; i < blocks_[block].second; ++i) { | 
| 195 | < | delete snapshots_[i]; | 
| 196 | < | snapshots_[i] = NULL; | 
| 195 | > | delete snapshots_[i]; | 
| 196 | > | snapshots_[i] = NULL; | 
| 197 |  | } | 
| 198 |  | std::vector<int>::iterator j; | 
| 199 |  | j = std::find(activeBlocks_.begin(), activeBlocks_.end(), block); | 
| 200 |  | assert(j != activeBlocks_.end()); | 
| 201 |  | *j = -1; | 
| 202 | < | } | 
| 202 | > | } | 
| 203 |  |  | 
| 204 | < | bool BlockSnapshotManager::hasZeroRefBlock(){ | 
| 204 | > | bool BlockSnapshotManager::hasZeroRefBlock(){ | 
| 205 |  | return std::find(activeRefCount_.begin(), activeRefCount_.end(), 0) != activeRefCount_.end() ?  true : false; | 
| 206 | < | } | 
| 206 | > | } | 
| 207 |  |  | 
| 208 | < | int BlockSnapshotManager::getFirstZeroRefBlock(){ | 
| 209 | < | std::vector<int>::iterator i = std::find(activeRefCount_.begin(), activeRefCount_.end(), 0); | 
| 210 | < | return i != activeRefCount_.end() ? activeBlocks_[i - activeRefCount_.begin()] : -1; | 
| 211 | < | } | 
| 208 | > | int BlockSnapshotManager::getFirstZeroRefBlock(){ | 
| 209 | > | std::vector<int>::iterator i = std::find(activeRefCount_.begin(), activeRefCount_.end(), 0); | 
| 210 | > | return i != activeRefCount_.end() ? activeBlocks_[i - activeRefCount_.begin()] : -1; | 
| 211 | > | } | 
| 212 |  |  | 
| 213 | < | std::vector<int> BlockSnapshotManager::getActiveBlocks() { | 
| 213 | > | std::vector<int> BlockSnapshotManager::getActiveBlocks() { | 
| 214 |  | std::vector<int> result; | 
| 215 |  | oopse::copy_if(activeBlocks_.begin(), activeBlocks_.end(), std::back_inserter(result), | 
| 216 | < | std::bind2nd(std::not_equal_to<int>(), -1)); | 
| 216 | > | std::bind2nd(std::not_equal_to<int>(), -1)); | 
| 217 |  | return result; | 
| 218 | < | } | 
| 218 | > | } | 
| 219 |  |  | 
| 220 | < | Snapshot* BlockSnapshotManager::loadFrame(int frame){ | 
| 220 | > | Snapshot* BlockSnapshotManager::loadFrame(int frame){ | 
| 221 |  | Snapshot* snapshot = new Snapshot(nAtoms_, nRigidBodies_, getStorageLayout()); | 
| 222 |  | snapshot->setID(frame); | 
| 223 |  |  | 
| 225 |  | Snapshot* oldSnapshot = currentSnapshot_; | 
| 226 |  | currentSnapshot_ = snapshot; | 
| 227 |  | reader_->readFrame(frame); | 
| 228 | < | currentSnapshot_ = oldSnapshot; | 
| 228 | > |  | 
| 229 | > | // What was this for?  It doesn't make sense! | 
| 230 | > | //currentSnapshot_ = oldSnapshot; | 
| 231 | > |  | 
| 232 |  | return snapshot; | 
| 233 | < | } | 
| 233 | > | } | 
| 234 |  |  | 
| 235 | < | int BlockSnapshotManager::getNFrames() { | 
| 235 | > | int BlockSnapshotManager::getNFrames() { | 
| 236 |  | return reader_->getNFrames(); | 
| 237 | < | } | 
| 237 | > | } | 
| 238 |  |  | 
| 239 | + | void BlockSnapshotManager::needCOMprops(bool ncp) { | 
| 240 | + | reader_->setNeedCOMprops(ncp); | 
| 241 | + | } | 
| 242 | + |  | 
| 243 |  | } |