I have a fairly stupid question about restart from a checkpoint and binary identical messages, probably because I can't understand the doco.
When I restart (or extend) a double-precision run from a checkpoint involving either dlb or even a different decomposition count (say I changed the number of parallel threads), I get a message that says it restarted but the trajectory is not binary identical. My question is: I assume this trajectory will continue from the last set of double-precision coordinates and velocities in the cpt file? What is the loss in precision/error propagation of the resulting trajectory as compared to if I started the entire run from the begining? (say I am extending my trajectory from 1ns to 10ns). I guess I understand that both trajectories would be "equally valid" but not binary identical, but what does this mean in terms of things like ultimate RMSD measurements and so forth? I don't necessarily care that the two concatenated trajectory files will not cmp to zero. -- =============================================================== Peter C. Lai | University of Alabama-Birmingham Programmer/Analyst | BEC 257 Genetics, Div. of Research | 1150 10th Avenue South p...@uab.edu | Birmingham AL 35294-4461 (205) 690-0808 | =============================================================== -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
