<html><body><div style="color:#000; background-color:#fff; font-family:verdana, helvetica, sans-serif;font-size:12pt"><div>Dear Gromacs Users,</div><div><br></div><div>The following error messages appear while running MD simulations with Gromacs 4.5.4: <br></div><div><br></div><div>- Cannot flush logfile - maybe you are out of quota?</div><div>- XTC error - maybe you are out of quota?</div><div>- Cannot read/write checkpoint; corrupt file, or maybe you are out of quota?</div><div>- Cannot write trajectory frame; maybe you are out of quota?</div><div><br></div><div>I use the following parameters for the output files:</div><div><br></div><div>###################################<br></div><div>; Output control<br>; frequency to write coordinates to output trajectory file<br>nstxout = 1000<br>; frequency to write velocities to output
trajectory<br>nstvout = 1000<br>; frequency to write forces to output trajectory<br>nstfout = 0<br>; frequency to write energies to log file<br>nstlog = 1000<br>; frequency to write energies to energy file<br>nstenergy = 1000<br>; frequency to write coordinates to xtc trajectory<br>nstxtcout = 1000<br>; precision to write to xtc trajectory<br>xtc-precision =
1000<br></div><div>###################################</div><div><br></div><div>Also, I have to note that I have compiled Gromacs 4.5.4 with openMPI 1.4.3.</div><div>The available disk space is more than 0.4 TB.<br></div><div><br></div><div>Thanks in advance for your help<br></div><div><br></div></div></body></html>