[gmx-users] "append" option does not work when the traj.trr is larger than 2GB (v4.0.5)

kyungchan chae ckcumaa at umich.edu
Mon Jul 20 23:08:13 CEST 2009




I'm having a problem in continuing a simulation with "append" flag once
traj.trr file is larger than 2GB. 

I reported this issue before when I was using gromacs version 4.0.4 (please
check the following link) 




The problem still exists in version 4.0.5 and the "append" flag works only
at version 4.0.2.

I've tested not only various distributions of linux but also different
remote and local machines and concluded that it's not the problem of special
systems but a kind of major bug. 


I hope that anyone who had the same experience can share some information
about this issue.

Anyone interested in understanding or debugging this bug can download the
input files to reproduce the problem from the above link.  


Any advice or information would be greatly appreciated.


Thank you






-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090720/49e8d6ef/attachment.html>

More information about the gromacs.org_gmx-users mailing list