Hi Kendall, I am guessing that this is an autobuild job, and that the machines used in the cluster are different than the machines used from the GUI. If this is the case, then I am not too surprised, as autobuild makes many decisions that are either/or (place a chain here or not) rather than continuous (move this atom here) so that tiny numerical differences can lead to significant differences in the final model. Now if you run from the GUI or command line and all machines are the same...then it should be the same, because the GUI is creating a parameters file and then running that command file. Autobuild also uses a random seed to generate trial positions for new chains, so if you re-run your job with i_ran_seed=xxxx, varying xxxx, you will get different results as well. I hope that helps! -Tom T
Dear PHENIX developers,
I ran a job through the GUI, and then what I thought was the same job on our cluster. The job from the cluster has Rfree that is 0.7% higher. I'm totally at a loss to figure out what is causing this. It is the same version of PHENIX (1.7-650). I then took the .eff file from the GUI job and used that as the params file for the command line job but still get the big difference in R free. Any suggestions? Best regards,
Kendall Nettles
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