Ok i tried to do it on the terminal there are no error messages just stop to produce output. And a strange warning in the begin of the out (directly after the output of simulation parameters), which I do do not understand at all. "Note: orbital pair 1 1096 (at least is multiply connected"
I looked in the manual and it seems there is a similar warning related to the "auxillary supercell". I tried to increase my supercell with a factor of 1.2 before i start the simulation this warning still occurs ( but with another index for the second orbital). Is there a possibility to avoid this problem? If I look on the particles coordinates, i do not see some strange features like to close particles or else. But perhaps this warning is not really related to my major problem. > On Mon, 2010-11-29 at 21:21 +0100, [email protected] wrote: >> How i could get the data in stderr? > > If you just run the job from the terminal, the standard output goes to > the terminal together with the standard error messages. If you submit > the job to the queuing system, usually you get the .out and .err files > afterwards. > > The problem you are experiencing might also be related to too high > optimization at the compilation time. If everything else fails, you can > try to lower it down and try again. > > Cheers, > Bartek > >
