Hi Nick, Thank you so much for your help. Following by meshgrid InitMesh: MESH = 216 x 216 x 80 = 3732480 If the ProcessorY is 8 and I have 64 cores. As I understand from the manual, the mesh will divide into YZ direction. means the total workload is divide into section of 216x1x1 with Y = 216 Z = 80. The processor grid is 8 * 8, so this gird will deal with the 216x1x1 at Y = 1 Z = 1 and then the next 216x1x1 at Y = 1 Z = 2 so on so forth. Is this how siesta parallel work? Thanks. I appreciate your help.
Yangchuan ME | UT Austin On Fri, Feb 24, 2017 at 1:56 AM, Nick Papior <nickpap...@gmail.com> wrote: > Those output numbers are not intended for the users. They are mainly used > by developers iff bugs occur. So an end user can easily neglect the output > you refer to. > > However, the line: > InitMesh: MESH = 216 x 216 x 80 = 3732480 > tells you the real space grid used internally (1st, 2nd, 3rd lattice > vector). > These may be useful for end users when post-processing grid related > quantities. > > > 2017-02-22 22:15 GMT+01:00 Yangchuan Li <liyangch...@utexas.edu>: > >> Dear Siesta users, >> >> I'm trying to understanding how siesta running in parallel. I don't >> understand the meaning of the grid distribution part of the output file. >> For example like the following >> >> New grid distribution: 1 >> 1 1: 108 1: 27 1: 8 >> 2 1: 108 1: 27 9: 16 >> 3 1: 108 1: 27 17: 24 >> 4 1: 108 1: 27 25: 32 >> 5 1: 108 1: 27 33: 40 >> .... >> 17 1: 108 82: 108 9: 16 >> 18 1: 108 82: 108 17: 24 >> 19 1: 108 82: 108 25: 32 >> 20 1: 108 82: 108 33: 40 >> >> InitMesh: MESH = 216 x 216 x 80 = 3732480 >> InitMesh: (bp) = 108 x 108 x 40 = 466560 >> InitMesh: Mesh cutoff (required, used) = 200.000 206.314 Ry >> ExtMesh (bp) on 0 = 172 x 91 x 76 = 1189552 >> >> What's the meaning of each column in formatted matrix? It seems the first >> column is the core number. >> And also what's the meaning of (bp) in the following output? >> Siesta has a excellent input manual. Is there a output manual for siesta? >> >> Yangchuan Li >> > > > > -- > Kind regards Nick >
