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Verification

Run CP2K again. Table 1 shows the test result.

Table 1 Test result

Test Round

Running Duration (s)

Remarks

Baseline test

1601.49

The running duration is used as the performance reference. The shorter the duration, the better the performance.

Optimization test

433.58

The running duration is used as the performance reference. The shorter the duration, the better the performance.

Performance improvement: (1601.49 - 433.58) / 1601.49 = 72.93%

After KML is used, the running duration is reduced by 72.93%.