Dear all, I ran a 250ns simulation with Gromacs 5.1.2 on a machine with only CPUs. I then wanted to extend the simulation to 300ns, and copied the .tpr and the .cpt to another machine with GPUs (also running Gromacs 5.1.2). I observed strange results, so I decided to also extend the simulation (from 250ns) on the first machine to compare.
Different results are obtained for the 2 extensions (that were started from the same .tpr and .cpt) on the 2 different machines/architectures. Is it a known behaviour, and one should never proceed like this? Is it due to CPU/GPU, or only the fact that machines are different and the same would have happened on another CPU machine? Thank you Nicolas PS: I am looking at a solute in a water:glycerol mixture. By "different results" I mean that the number of water (or glycerol) around the solute are different at all time steps -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
