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TRAINTZ銅蟲 (初入文壇)
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[求助]
AUTODOCK GPU 使用報錯
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我在ubuntu上運行autodock gpu對接蛋白質和DNA時提示 Running 1 docking calculation Kernel source used for development: ./device/calcenergy.cl Kernel string used for building: ./host/inc/stringify.h Kernel compilation flags: -I ./device -I ./common -DN128WI -cl-mad-enable OpenCL device: NVIDIA GeForce RTX 4060 Error: System consists of too many atoms.' Maximum number of atoms is 256. Error in parse_liganddata, stopped job. Error in setup of Job #1 Run time of entire job set (1 file): 0.066 sec Processing time: 0.000 sec The job was not successful 但是我縮小了grid box仍然有問題,難道GPU只能處理小分子或者小分子蛋白嗎? ![]() ![]() ![]() ![]() |
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