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GPU computing is slow #19
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When using multimer models, sometimes a collapsed structure may cause the running time and amber relaxation time very long. |
How can I determine if the calculation structure is reasonable?Do you have any relevant references? |
you can just look at the output structure, is it looked reasonable? like does it have reasonable secondary structure? |
Same multimer sequence,two chains,in total 646AA.
Use ParallelFold,CPU phase use 1h33min,GPU phase use 5h30min,generate five models.command: -p multimer -m model_1_multimer,model_2_multimer,model_3_multimer,model_4_multimer,model_5_multimer.
Use ParallelFold,CPU phase use 1h27min,GPU phase use 1h25min,generate one models.command: -p multimer -m model_1_multimer
Use Alphafold Docker,total use 2h20min,generate five models
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