> I have successfully run gmx on up to 128 cpus. When I scale > to 256 cpus, the > following error occurs. Does it mean that gmx can't be run on > 256 nodes? > > Fatal error: > could not find a grid spacing with nx and ny divisible by the > number of > nodes (256)
Isn't that just due to the reasoning pointed out previously .... >>the current version of gmx requires at least pme_order/2 grid points >>per >>processor >>for the x-dimension of the pme grid. With pme_order=4 and fourier_nx=64 >>you end up with >>only one grid point per processor. On 64 CPUs you would have to set >>fourier_nx to 128 >>then (or alternatively choose a smaller fourierspacing). These settings >>are not >>useful for 32 or less CPUs though, because they would unnecessarily slow >>down your >>calculation. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
