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.

Mark
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