[gmx-users] About Checkpoint error in gromacs 4.6

Erik Marklund erikm at xray.bmc.uu.se
Sat Jun 1 21:50:38 CEST 2013


How about running with -noappend?

On 1 Jun 2013, at 13:59, vidhya sankar <scvsankar_agr at yahoo.com> wrote:

> Dear Justin Thank you for your previuos reply
>                                                                       I am using gromacs 4.6 AMD 8 core processor
> 
> When I run restart My run  from the Checkpoint file using the following error
> 
> ./mdrun_d  -s CNTPEPRSOLNPT.tpr  -cpi CNTPEPRSOLNPT_prev.cpt  -v -nt 8 -deffnm CNTPEPRSOLNPT -append
> 
> 
> 
> The original run wrote a file called 'CNTPEPRSOLNPT.trr' which is larger than 2 GB, but mdrun did not support large file offsets. Can not append. Run mdrun with -noappend
> 
> How to solve this error?
> Thnaks In ADVANCE                                                             
> 
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