[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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