Intel Conroe 2.66 GHz, 4 MB L2 cache, 1066 MHz FSB, 2x1024 MB DDR2 667 MHz RAM, 30 GB Serial ATA, Windows 2003 Server x64 Enterprize Edition SP2 beta 1 with PerfEnablePackageIdle set to 1.

Note that all tests were running using only single CPU core in these benchmarks. The PC GAMESS v. 7.0 builds ## 3941 & 3949 (gracefully provided by Dr. Alex Granovsky) was used for testing purposes.

Intel Conroe 2.66 GHz, 4 MB L2 cache, 1066 MHz FSB, 2x1024 MB DDR2 667 MHz RAM, 30 GB Serial ATA, Windows 2003 Server x64 Enterprise Edition SP2 beta 1 with PerfEnablePackageIdle set to 1.

Tests 2 and 4 were run in multithreaded mode, other tests were run in standard parallel mode using dynamic load balancing over p2p interface. The PC GAMESS v. 7.0 builds ## 3941 & 3949 (gracefully provided by Dr. Alex Granovsky) was used for testing purposes. Note that test 2 does not scale well mainly due to limitations of the PC GAMESS' semiempirical code, while test 3 would require second HDD to get better CPU to Wall clock time ratio.

Test 1, single-point direct DFT (B3LYP) energy plus gradient for medium-size system (623 basis functions). View image

Test 2, single-point semiempirical (PM3) energy plus gradient for large system (540 atoms, 2160 basis functions). View image

Test 3, single-point direct MP2 energy for medium-size system (623 basis functions, the same system as one used for Test 1). View image

Test 4, single-point two-state MCQDPT2 energy with ISA energy denominators shift for small model system. View image

Test 5, single-point direct CASSCF(12,12) for medium-size system (retinal molecule, cc-pVDZ, 565 Cartesian basis functions) using ALDET code. View image

Test 6, single-point direct CIS energy plus gradient of first excited state of medium-size system (porphyrin molecule, cc-pVTZ (aug-cc on Nitrogens), 1130 Cartesian basis functions, D_2h group). View image