[gmx-developers] using -ddcsx/y/z with and without DLB

Horacio A. Vargas Guzman vargas at mpip-mainz.mpg.de
Wed Oct 26 10:38:04 CEST 2016


Dear All.

The commands I tried to run for a processors grid 4x4x4 are:

1. <mpiexec -n 64 mdrun_mpi -v -s -dlb no -dd "4 4 4" -ddcsx "1.5 1.5 
0.5 0.5" -ddcsy "1.5 1.5 0.5 0.5" -ddcsz "1.5 1.5 0.5 0.5">

OR with DLB

2. <mpiexec -n 64 mdrun_mpi -v -s -dlb yes -dd "4 4 4" -ddcsx "1.5 1.5 
0.5 0.5" -ddcsy "1.5 1.5 0.5 0.5" -ddcsz "1.5 1.5 0.5 0.5">

However I also tried with normalized subdomains

3. <mpiexec -n 64 mdrun_mpi -v -s -dlb no -dd "4 4 4" -ddcsx "0.375 
0.375 0.125 0.125" -ddcsy "0.375 0.375 0.125 0.125" -ddcsz "0.375 0.375 
0.125 0.125" >

Failed...too many arguments in option -ddcsx.... etc

I searched for a similar issue with documentation but could not find it!

Again thanks for a prompt reply!

Best,

Horacio.



More information about the gromacs.org_gmx-developers mailing list