Number of cores used |
1 |
2 |
3 |
4 |
Using all 8 logical processors |
Standard MCQDPT2 benchmark using resolvent fitting, Wall clock time and relative speedup |
16259.7 100% |
10972.8 148% |
8976.9 181% |
8153.7 199% |
7864.9 207% |
Intel Quad-core Core i7 940 2.93 GHz, Asus P6T-Deluxe Mainboard, 6x2GB (triple channel) DDR3-1333 RAM@1333 MHz, Seagate 1 TB SATA-2 ST31000340NS HDD, Windows Server 2008 Enterprise x64. Hyperthreading and Turbo Boost Technology were enabled in BIOS.
Single-point semi-direct two-state MCQDPT2 energy (using resolvent fitting code) for medium-size system (retinal molecule, cc-pVDZ, 565 Cartesian basis functions, CAS(12,12)). View image
MCQDPT2 benchmarks were run in multithreaded mode (i.e., using only single process). If not explicitly stated otherwise, all benchmarks used only one logical processor of each allotted CPU core.
Scalability is not very good because this test is partially I/O limited. Using faster disk or RAID volume would improve scalability considerably. Complete input and output files are available here.