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Fix: Integrate test
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  • tests/16_SDFT_GPU/187_PW_SDFT_MALL_BPCG_GPU

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etotref -96.9361125708192191
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etotperatomref -48.4680562854
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totalforceref 248.979476
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totalstressref 230453.662470
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totaltimeref 6.44

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