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

Matthew Zwier mczwier at gmail.com
Thu Jul 14 19:19:41 CEST 2011

Hi Sanku,

How large is your XTC file?  This error also shows up when the XTC
file grows too large for the filesystem it's on (frequently 16 GB for
ext3 filesystems on Linux, for example).


On Thu, Jul 14, 2011 at 1:06 PM, Sanku M <msanku65 at yahoo.com> 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
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