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 |
> |
int bytesPerFrame = (nRigidBodies_ + nAtoms_) * bytesPerStuntDouble |
72 |
> |
+ nCutoffGroups_ * bytesPerCutoffGroup; |
73 |
|
|
74 |
|
// total number of frames that can fit in memory |
75 |
|
//RealType frameCapacity = avaliablePhysMem / bytesPerFrame; |
104 |
|
//std::cout << "Memory available for OpenMD:\t" << (unsigned long)avaliablePhysMem << " bytes" <<std::endl; |
105 |
|
std::cout << "Memory requested for OpenMD:\t" << (unsigned long)memSize_ << " bytes" <<std::endl; |
106 |
|
std::cout << " Bytes per StuntDouble:\t" << (unsigned long)bytesPerStuntDouble <<std::endl; |
107 |
+ |
std::cout << " Bytes per Cutoff Group:\t" << (unsigned long)bytesPerCutoffGroup <<std::endl; |
108 |
|
std::cout << " Bytes per Frame:\t" << (unsigned long)bytesPerFrame <<std::endl; |
109 |
|
std::cout << " Frame Capacity:\t" << (unsigned long)frameCapacity <<std::endl; |
110 |
|
std::cout << " Frames in trajectory:\t" << (unsigned long)nframes_ <<std::endl; |