--- trunk/src/brains/BlockSnapshotManager.cpp 2013/06/16 15:15:42 1879 +++ trunk/src/brains/BlockSnapshotManager.cpp 2014/01/24 13:53:41 1965 @@ -67,7 +67,9 @@ namespace OpenMD { // RealType avaliablePhysMem = physMem - rssMem; int bytesPerStuntDouble = DataStorage::getBytesPerStuntDouble(storageLayout); - int bytesPerFrame = (nRigidBodies_ + nAtoms_) * bytesPerStuntDouble; + int bytesPerCutoffGroup = DataStorage::getBytesPerStuntDouble(DataStorage::dslPosition); + int bytesPerFrame = (nRigidBodies_ + nAtoms_) * bytesPerStuntDouble + + nCutoffGroups_ * bytesPerCutoffGroup; // total number of frames that can fit in memory //RealType frameCapacity = avaliablePhysMem / bytesPerFrame; @@ -76,6 +78,9 @@ namespace OpenMD { // number of frames in each block given the need to hold multiple blocks // in memory at the same time: nSnapshotPerBlock_ = int(frameCapacity) / blockCapacity_; + if (nSnapshotPerBlock_ <= 0) { + std::cerr << "not enough memory to hold two configs!" << std::endl; + } reader_ = new DumpReader(info, filename); nframes_ = reader_->getNFrames(); int nblocks = nframes_ / nSnapshotPerBlock_; @@ -99,6 +104,7 @@ namespace OpenMD { //std::cout << "Memory available for OpenMD:\t" << (unsigned long)avaliablePhysMem << " bytes" <