Hi Ommair,

really strange, I suspect you see that for variable timestep. 
With fixed timestep I see no such problem with your input.
I attached my run, inputs and outputs.

Also I have noticed your system exposes a bug in dlpoly I will report it and 
try to fix it. Thank you.

Regards,
Alin

On Friday, 30 June 2017 02:09:01 BST you wrote:
> Hi ,
> 
> I have re-run it as you have suggested by increasing  timestep to 0.0001
> but still I am getting same problem.
> 
> warning issued    330
> 
>  *** warning - iteration cycles length limit for conjugate gradient
> minimisers exceded !!! ***
>  *** specified convergence tolerance:  41.840000 , needed one for a pass:
> 898.746826 !!! ***
> 
> 
>  DL_POLY_4 terminated due to error   474
> 
>  error - conjugate gradient mimimiser cycle limit exceeded
> 
> 
> Ommair
> 
> On Thu, Jun 29, 2017 at 4:56 PM, Alin M Elena <[log in to unmask]> wrote:
> > Hi Ommair,
> > 
> > timestep looks to big. Try something like
> > 0.0001
> > then increase it.
> > 
> > Other option is to use
> > variable timestep 0.0001
> > and then dlpoly will try to increase it by itself.
> > 
> > Regards,
> > Alin
> > 
> > On Thursday, 29 June 2017 18:13:35 BST you wrote:
> > > Hi,
> > > Last time I was getting error link cell algorithm violation and then
> > > suggested by members of mailing list after looking into my input files
> > > Asked me to check my table file. I have generated the new table file but
> > > still i am getting following error. i am also attaching my input files.
> > > Kindly need help in this.
> > > 
> > >  warning issued    330
> > >  
> > >  *** warning - iteration cycles length limit for conjugate gradient
> > > 
> > > minimisers exceded !!! ***
> > > 
> > >  *** specified convergence tolerance:  41.840000 , needed one for a 
pass:
> > > ********** !!! ***
> > > 
> > >  DL_POLY_4 terminated due to error   474
> > >  
> > >  error - conjugate gradient mimimiser cycle limit exceeded
> > > 
> > > Ommair
> > 
> > --
> > Without Questions there are no Answers!
> > _______________________________________
> > Dr. Alin Marin ELENA
> > http://alin.elena.space/
> > _______________________________________


-- 
Without Questions there are no Answers!
______________________________________
Dr. Alin Marin ELENA, F24
Daresbury Laboratory, STFC
Keckwick Lane
Daresbury, Cheshire
UK, WA4 4AD
http://goo.gl/6s7RAF
+44 (0) 1925 60 3080
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