Thanks Nick Regards.
On Sun, Aug 18, 2013 at 12:10 PM, Nick Papior Andersen <[email protected] > wrote: > If you need ways to plot using python you should look up matplotlib and > use that package. > Is has many capabilities which is similar to MatLABs plotting functions > and is the de-facto standard within the python community to plot. > > However, if you need help with this package I suggest you find help > elsewhere, but you could probably help others by re-posting your findings > here. > > Kind regards Nick > > > 2013/8/17 mohammad mahdi Tavakoli <[email protected]> > >> Dear nick >> >> Thanks a lot for your great help. I solved this problem. But I have a >> question: >> To plot my data: Can you introduce me some ways such as using python. >> >> Regards. >> >> >> On Fri, Aug 16, 2013 at 3:21 PM, Nick Papior Andersen < >> [email protected]> wrote: >> >>> 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 >>>>> >>>>> >>>> >>> >> >
