[Pw_forum] Re: Restarting calculations

[stewart at cnf.cornell.edu]

Hi Paolo, 

  I am currently using espresso version 2.1.5 running on redhat-linux 
enterprise with the intel v8 compilers.  I downloaded version 2.1.5 back in 
August.  Have there been any small changes to the distribution since then? 

Thanks, 

Derek 

################################
Derek Stewart, Ph. D.
Scientific Computation Associate
250 Duffield Hall
Cornell Nanoscale Facility (CNF)
Ithaca, NY 14853
stewart (at) cnf.cornell.edu 

 

Paolo Giannozzi writes: 

> On Friday 28 October 2005 18:30, stewart at cnf.cornell.edu wrote: 
> 
>>    I would like to restart pw calculations that haven't converged.
>> Unfortunately, I run into efermit errors when I try to restart the
>> calculations. 
> 
> I already heard about this. I think it is fixed now. Which version
> are you using? P. 
> 
> -- 
> Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
> Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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