[gmx-users] Mutant_md_1ns.log

[Lei Qian (via Google Drive)]

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Mutant_md_1ns.log
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Dear Users,
Sorry for this inconvenience.
Could I ask a question about Gromacs wall-times for my Wide Type and mutant  
protein(only 1 residue mutant)?
Thanks!
I attach 3 log files here.
(1) WT protein running for 1ns production step.(wall time: 1hour 40min).
(2) WT protein running for 10ns production step (wall time: 6days 09h17).
(3) Mutant protein running for 1ns production step. (wall time: 17hours  
30min).

 From the log files, each ran on one node with 24 cores.

It seems the wall times for (1) and (2) do not have linearly proportional  
relationship.
And running time for (3) was much longer than I expected, since mutant  
protein is only 1 residue mutant protein.
Thanks!