[gmx-users] XTC I/O error in replica exchange
Mark.Abraham at anu.edu.au
Thu Jul 14 19:17:45 CEST 2011
On 15/07/2011 3:06 AM, Sanku M wrote:
> I am running a replica exchange simulation using 64 replicas ( using
> gromacs4.0.7) in a super computer using 2 nodes ( each having 32
> processors). But, what happens is that after running for a day or so,
> the simulation crashes with error like 'XTC error, may be you are out
> of quota'. But, I have checked the disc space with the sysadmin and
> there is no lack of disc space. I am not sure what is causing this
> problem. Any help will be appreciated.
All kinds of file system hiccups can cause this, including a file
growing too large for some kinds of file systems, or an NFS server not
making a file available. It should be possible to observe the same
phenomenon when not using REMD.
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