Dear mohammad, Commands in any linux system are only searched in directories which are in the PATH environment variable Hence if PATH=/usr/local/bin ONLY executable files in /usr/local/bin can be executed in arbitrary folders. If you haven't read this before (or didn't know it), I would suggest you read up on how unix systems finds its commands.
You can either a) generate your own folder for executables b) move your compiled gnubands to a folder which is in PATH I would recommend you do this (option a): This assumes you use bash (if you use csh switch to bash/zsh or something else, *my recommendation*): ### mkdir ~/.bin cd <compilation directory of gnubands> cp gnubands ~/.bin/ chmod a+x ~/.bin/gnubands echo "[ -d \$HOME/.bin ] && export PATH=\$HOME/.bin:\$PATH" >> ~/.bashrc ## the above works provided you don't have any spaces in PATH or in HOME envs. Kind regards Nick 2013/8/16 mohammad mahdi Tavakoli <[email protected]> > Dear Abraham > > I did your comments but > If i use this command only:(gnubands < QD.bands> QD_ bands.dat) this error > is appeared: > gnubands: command not found > should i use any compiler such as gfortran before gnubands or not? > if i use mpirun before gnubands, this error is appeared: > mpirun noticed that process rank 0 with PID 15994 on node > mahdi-System-Product-Name exited on signal 9 (Killed). > > Regards. > > > On Fri, Aug 16, 2013 at 5:14 AM, Abraham Hmiel <[email protected]> wrote: > >> Mohammad, >> >> First, you don't need mpirun to run gnubands. The program only takes a >> few moments to run, even with very large systems and there is no >> parallelization implemented. It just reshapes the band structure arrays >> into something more easily plotted. Just use: >> >> $ gnubands < QD.bands > QD_bands.dat >> >> Second, if you navigate to the directory where gnubands.f lies and open >> gnubands.f with your favorite file editor, you will see that there are some >> maximum limits that can halt the program. (the line -> if(overflow) >> stop...) Adjusting, for example, maxb upwards to a higher value (perhaps a >> MUCH higher value) where it is originally declared as 100, then recompiling >> gnubands, will fix your issue with the program. Likewise, if you continue >> to obtain the same error, perhaps you have breached the maxk limit for the >> number of k-points in your plot. >> >> Friendly regards, >> >> -- >> *Abraham Hmiel* >> Katherine Belz Groves Fellow in Nanoscience >> Xue Group, College of Nanoscale Science and Engineering at SUNY Albany >> http://abehmiel.net/about >> >> >
