[gmx-users] XTC I/O error in replica exchange

Mark Abraham Mark.Abraham at anu.edu.au
Thu Jul 14 19:17:45 CEST 2011

On 15/07/2011 3:06 AM, Sanku M wrote:
> Hi,
>   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.
> Sanku

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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