[gmx-users] About Checkpoint error in gromacs 4.6

vidhya sankar scvsankar_agr at yahoo.com
Sat Jun 1 13:59:23 CEST 2013


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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