[gmx-users] maybe you are out of quota?

[Mark Abraham]

On 21/11/2011 9:02 PM, Vasileios Tatsis wrote:
> Dear Gromacs Users,
>
> The following error messages appear while running MD simulations with 
> Gromacs 4.5.4:
>
> - Cannot flush logfile - maybe you are out of quota?
> - XTC error - maybe you are out of quota?
> - Cannot read/write checkpoint; corrupt file, or maybe you are out of 
> quota?
> - Cannot write trajectory frame; maybe you are out of quota?

GROMACS is having trouble writing a file when it wants to. In the 
absence of further clues, I think your (network?) file system has some 
issues. Check you have write permission for the directory into which you 
are writing.

Mark

>
> I use the following parameters for the output files:
>
> ###################################
> ; Output control
> ; frequency to write coordinates to output trajectory file
> nstxout                  = 1000
> ; frequency to write velocities to output trajectory
> nstvout                  = 1000
> ; frequency to write forces to output trajectory
> nstfout                  = 0
> ; frequency to write energies to log file
> nstlog                   = 1000
> ; frequency to write energies to energy file
> nstenergy                = 1000
> ; frequency to write coordinates to xtc trajectory
> nstxtcout                = 1000
> ; precision to write to xtc trajectory
> xtc-precision            = 1000
> ###################################
>
> Also, I have to note that I have compiled Gromacs 4.5.4 with openMPI 
> 1.4.3.
> The available disk space is more than 0.4 TB.
>
> Thanks in advance for your help
>
>
>

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