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Performance Test

Note:

(1) Only the TCE CCSD(T) feature of NWChem supports GPU computing.

(2) This test case comes from the Internet. Only the last CCSD computing part uses GPUs, and other computing parts use CPUs. The computing effect is poor. Table 1 shows the comparison result.

Table 1 Effect comparison

Test Command

Taishan 200 2280 (2 x 7260)

G5500 (2 x 6248R)

CPU

114 seconds

83.8 seconds

CPU + GPU

121 seconds

77.9 seconds