[gmx-users] mdrun error: There is no domain decomposition for x nodes that is compatible with the given box

[Seyed Mojtaba Rezaei Sani]

Dear gmx users,

Perhaps my problem is a repetitive question in the forum but I couldn't
find a trouble-shooter response for my case.
I am running a stochastic dynamics calculation for a solution of
doxorubicin. The following error occurs while the calculation runs:

Fatal error:
There is no domain decomposition for x nodes that is compatible with the
given box and a minimum cell size of 1.9433 nm
Change the number of nodes or mdrun option -rdd or -dds

I have tried several numbers of nodes resulting in the same error. Here is
the mdp file:

integrator               = sd
nsteps                   = 1000000
dt                       = 0.002
nstenergy                = 1000
nstlog                   = 5000
; turn off trajectory writing
nstxout                  = 0
nstvout                  = 0
; cut-offs at 1nm
rlist                    = 1.0
nstlist                  = 10
coulombtype              = pme
vdw-type                 = cut-off
rvdw                     = 1.0
constraints              = all-bonds
; set temperature to 300K
tcoupl                   = v-rescale
tc-grps                  = system
tau-t                    = 0.2
ref-t                    = 300
; and pressure to 1 bar
pcoupl                   = parrinello-rahman
ref-p                    = 1
compressibility          = 4.5e-5
tau-p                    = 5
; and set the free energy parameters
free-energy              = yes
couple-moltype           = DOX
init-lambda              = 0
; these 'soft-core' parameters make sure we never get overlapping
; charges as lambda goes to 0
sc-power                 = 1
sc-sigma                 = 0.3
sc-alpha                 = 1.0
; we still want the molecule to interact with itself at lambda=0
couple-intramol          = no
couple-lambda1           = vdwq
couple-lambda0           = none
foreign-lambda           = 0 0.2 0.4 0.6 0.8 0.9 1


would you give me some hints?
Thanks in advance.

-- 
Seyed Mojtaba Rezaei Sani

Institute for Research in Fundamental Sciences (IPM)
School of Nano-Science
Shahid Farbin Alley
Shahid Lavasani st
P.O. Box 19395-5531
Tehran, Iran
Tel: +98 21 2310  (3069)