| 67 | 
  | 
      // RealType avaliablePhysMem = physMem - rssMem; | 
| 68 | 
  | 
     | 
| 69 | 
  | 
      int bytesPerStuntDouble = DataStorage::getBytesPerStuntDouble(storageLayout); | 
| 70 | 
< | 
      int bytesPerFrame = (nRigidBodies_ + nAtoms_) * bytesPerStuntDouble; | 
| 70 | 
> | 
      int bytesPerCutoffGroup = DataStorage::getBytesPerStuntDouble(DataStorage::dslPosition); | 
| 71 | 
  | 
 | 
| 72 | 
+ | 
      int bytesPerFrameData = Snapshot::getFrameDataSize(); | 
| 73 | 
+ | 
      int bytesPerFrame = (nRigidBodies_ + nAtoms_) * bytesPerStuntDouble  | 
| 74 | 
+ | 
        + nCutoffGroups_ * bytesPerCutoffGroup  | 
| 75 | 
+ | 
        + bytesPerFrameData; | 
| 76 | 
+ | 
 | 
| 77 | 
  | 
      // total number of frames that can fit in memory | 
| 78 | 
  | 
      //RealType frameCapacity = avaliablePhysMem / bytesPerFrame; | 
| 79 | 
  | 
      RealType frameCapacity = (RealType) memSize_ / (RealType) bytesPerFrame; | 
| 99 | 
  | 
 | 
| 100 | 
  | 
      snapshots_.insert(snapshots_.begin(), nframes_, static_cast<Snapshot*>(NULL));    | 
| 101 | 
  | 
 | 
| 102 | 
< | 
      std::cout << "-----------------------------------------------------"<<std::endl; | 
| 102 | 
> | 
      std::cout << "-----------------------------------------------------" | 
| 103 | 
> | 
                << std::endl; | 
| 104 | 
  | 
      std::cout << "BlockSnapshotManager memory report:" << std::endl; | 
| 105 | 
  | 
      std::cout << "\n"; | 
| 106 | 
  | 
      // std::cout << "  Physical Memory available:\t" << (unsigned long)physMem <<  " bytes" <<std::endl; | 
| 107 | 
  | 
      //std::cout << "     Resident Memory in use:\t" << (unsigned long)rssMem << " bytes" <<std::endl; | 
| 108 | 
  | 
      //std::cout << "Memory available for OpenMD:\t" << (unsigned long)avaliablePhysMem << " bytes" <<std::endl; | 
| 109 | 
< | 
      std::cout << "Memory requested for OpenMD:\t" << (unsigned long)memSize_ << " bytes" <<std::endl; | 
| 110 | 
< | 
      std::cout << "      Bytes per StuntDouble:\t" << (unsigned long)bytesPerStuntDouble <<std::endl; | 
| 111 | 
< | 
      std::cout << "            Bytes per Frame:\t" << (unsigned long)bytesPerFrame <<std::endl; | 
| 112 | 
< | 
      std::cout << "             Frame Capacity:\t" << (unsigned long)frameCapacity <<std::endl; | 
| 113 | 
< | 
      std::cout << "       Frames in trajectory:\t" << (unsigned long)nframes_ <<std::endl; | 
| 114 | 
< | 
      std::cout << "        Snapshots per Block:\t" << (unsigned long)nSnapshotPerBlock_ <<std::endl; | 
| 115 | 
< | 
      std::cout << "     Total number of Blocks:\t" << (unsigned long)nblocks << std::endl; | 
| 116 | 
< | 
      std::cout << "-----------------------------------------------------"<<std::endl; | 
| 109 | 
> | 
      std::cout << "Memory requested for OpenMD:\t"  | 
| 110 | 
> | 
                << (unsigned long)memSize_ << " bytes" << std::endl; | 
| 111 | 
> | 
      std::cout << "        Bytes per FrameData:\t"  | 
| 112 | 
> | 
                << (unsigned long)bytesPerFrameData << std::endl; | 
| 113 | 
> | 
      std::cout << "      Bytes per StuntDouble:\t"  | 
| 114 | 
> | 
                << (unsigned long)bytesPerStuntDouble << std::endl; | 
| 115 | 
> | 
      std::cout << "     Bytes per Cutoff Group:\t"  | 
| 116 | 
> | 
                << (unsigned long)bytesPerCutoffGroup << std::endl; | 
| 117 | 
> | 
      std::cout << "            Bytes per Frame:\t"  | 
| 118 | 
> | 
                << (unsigned long)bytesPerFrame << std::endl; | 
| 119 | 
> | 
      std::cout << "             Frame Capacity:\t" | 
| 120 | 
> | 
                << (unsigned long)frameCapacity << std::endl; | 
| 121 | 
> | 
      std::cout << "       Frames in trajectory:\t"  | 
| 122 | 
> | 
                << (unsigned long)nframes_ << std::endl; | 
| 123 | 
> | 
      std::cout << "        Snapshots per Block:\t"  | 
| 124 | 
> | 
                << (unsigned long)nSnapshotPerBlock_ << std::endl; | 
| 125 | 
> | 
      std::cout << "     Total number of Blocks:\t"  | 
| 126 | 
> | 
                << (unsigned long)nblocks << std::endl; | 
| 127 | 
> | 
      std::cout << "-----------------------------------------------------" | 
| 128 | 
> | 
                << std::endl; | 
| 129 | 
  | 
     | 
| 130 | 
  | 
    } | 
| 131 | 
  | 
 |