[gmx-users] Shake block errors with d.lzm

[Ganesh CN]

> you can not use so many processors for such a small system in 3.3. In
> 4.0 you will be able to do it.

Thanks for your response David.  Is it possible to scale up the
problem size so that I can run it on 16 or more processes ?  If so,
could you let me know what parameter I have to change to scale up ?
(I am not too conversant with the molecular dynamics principles - so
please forgive my ignorance).  Or is there is some other input file
which will work for 16 processes ? I am using cutoff.mdp as pasted
below :

title                    = dppc
cpp                      = /lib/cpp
integrator               = md
nsteps                   = 5000
nstlist                  = 5
nstxout                  = 0
nstvout                  = 0
nstxtcout                = 0
nstlog                   = 0
dt                       = 0.004
constraints = all-bonds
nstenergy                = 0
ns_type                  = grid
coulombtype              = cut-off
rlist                    = 0.9
rvdw                     = 1.4
rcoulomb                 = 1.4
tcoupl                   = berendsen
tc_grps                  = protein cl- sol
tau_t                    = 0.1 0.1 0.1
ref_t                    = 300 300 300
Pcoupl                   = no

Thanks,
Ganesh