libre

How do I use OpenMpi in AWS EFA

38

I use a normal node and it works fine, but I use a node that supports EFA network and report the following error:

GPU computing is slow

3

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:...

ValueError: Minimization failed after 100 attempts

22

 Recently, this problem has occurred in all runs