I have a Intel i7-2630QM CPU @ 2.00GHz on my laptop with 4.6.3 installed and a desktop with an i3-3220 with 4.5.5 installed.
I am trying the same energy minimization on each of these machines. My desktop takes a few seconds, my laptop takes hours. This doesn't make much sense bc benchmarks indicated that my laptop should be faster. Only conclusion I can come up with is that it is the difference in versions. Any other explanations? Here are the files I am using: http://www.sendspace.com/file/a1cdch List of commands used are found in: commands.txt I use the last command "mdrun -v -deffnm em" on each machine, and the files were built with 4.6.3 (my laptop). If you need any more information please let me know. Thank you! -Jonathan -- 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
