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Log file recomendations for py-mcmd #41
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Even if we print every step, we can considerably reduce the size of the log file by removing extraneous characters. For example, we could print data like this: Text like this could be printed once at the beginning of the log file. We don't need to print it every cycle. At least in the current form of py-MCMD, I don't envision us changing the chemical potential during a simulation. GOMC GCMC simulation is using ChemPot --> Residues and values = {'SPCE': -4210} |
Additionally, we should create a "debug mode," which would include a lot of the current information printed to the log file, such as start and stop times of the NAMD and GOMC simulation components. During a normal simulation, this information is not needed. |
We need to create a title header for timing stats data. It is unclear what these data are from just looking at the console output: TIME_STATS_DATA: 3 9.541171 0.881118 0.01111 10.433399 |
Log file recommendations:
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