Purpose: In this tutorial you will learn how to download and quick compile exciting.
First, you should choose the directory where you want to unpack the current release, exciting boron. All examples in this tutorial assume that the source code of exciting is unpacked to /home/tutorials. From now on the symbol $ will indicate the shell prompt.
$ mkdir /home/tutorials $ cd /home/tutorials
Download the current release, exciting boron here, and unpack it.
$ tar xvf exciting.boron.tar.gz
Before proceeding further, be sure that relevant environment variables are already defined as specified in How to set environment variables for tutorials scripts. If you choose a different location than /home/tutorials, replace /home/tutorials in your ~/.bashrc file with an appropriate path as indicated in How to set environment variables for tutorials scripts.
Then, move inside the exciting directory and compile the code!
$ cd exciting $ make
The compilation script allows you to choose a compiler and other preferences. For the purpose of using exciting within this and the other tutorials, choose 6 (gfortran), no k-point parallelization support, and no SMP support. Pay attention that the (yes/No) choice implies typing a full word and not just the first letter.
Makefile:13: build/make.inc: No such file or directory perl ./setup.pl --------------------------------------------------------- 1 AIX.xlf.poe.essl 2 CrayXT6 3 DUNE 4 g95 5 g95.mac 6 gfortran 7 ifort 8 pgf90 Enter the number of the platform that suites your system best: 6 You use the makefile from: build/platforms/make.inc.gfortran If the compilation fails, edit "build/make.inc" and execute "make" again. If you have MPI installed you can build exciting with k-point parallelization support. Build MPI binary ? (yes/No) no If you have multithreaded BLAS/LAPACK installed you can build exciting with SMP support. Build SMP lib binary (yes/No) no cd build/serial; make …
If the compilation step was successful, the binary file excitingser should be available in the /home/tutorials/exciting/bin directory.
$ ls /home/exciting-tutorial/exciting/bin excitingser spacegroup species stateconvert stateinfo
Now, exciting has been compiled and you can start with the other Tutorials.