Hi all,
I have a problem while compiling the exciting code.
When I run an example, it reminds me that :
"excitingser:command not found…"
I wonder if someone can help me.
1. My system is Fedora 22 x64.
I have installed gcc-gfortran, lapack and blas.
I compiled the code following the steps in "boron-download-and-compile-exciting".
Excitingser has been produced.
2. The next step was to set environment variables.
I appended the following lines to the ~/.bashrc file.
#=====================================================================================
- The following shell variables are needed for executing scripts in exciting tutorials
export EXCITINGROOT=/home/first/exciting
export EXCITINGBIN=$EXCITINGROOT/bin
export EXCITINGRUNDIR=/home/first/exciting/mytest
export EXCITINGSCRIPTS=$EXCITINGROOT/tools
export EXCITINGSTM=$EXCITINGSCRIPTS/stm
export EXCITINGVISUAL=$EXCITINGROOT/xml/visualizationtemplates
export EXCITINGCONVERT=$EXCITINGROOT/xml/inputfileconverter
#-----------------
export TIMEFORMAT=" Elapsed time = %0lR"
#-----------------
export PYTHONPATH=$PYTHONPATH:$EXCITINGSTM
export PATH=$PATH:$EXCITINGSCRIPTS:$EXCITINGBIN:$EXCITINGSTM
#=====================================================================================
3. I started a new shell and wanted to run the code in input.xml.
The code is as follows.
<input><title>Diamond</title><structure speciespath="/home/first/exciting/species"><crystal scale="6.7274"><basevect>0.0 0.5 0.5</basevect><basevect>0.5 0.0 0.5</basevect><basevect>0.5 0.5 0.0</basevect></crystal><species speciesfile="C.xml"><atom coord="0.00 0.00 0.00"/><atom coord="0.25 0.25 0.25"/></species></structure><groundstate ngridk="4 4 4" outputlevel="normal">
</groundstate></input>
4. $ time excitingser
It says: "excitingser: command not found…"
Thanks!