PDA

View Full Version : Installing Intel Libraries and Compilers



Chris Bright
May 5th, 2013, 08:58 PM
Hi everybody!

My machine is a Linux 64 bit laptop with Intel Core i7 cpu.

I need to install a software called Quantum Espresso (http://www.quantum-espresso.org/), very useful for ab-initio simulations. Here the prerequisites:

- Fortran and C compilers
- Fortran and C MPI compilers
- MPI library
- BLAS, LAPACK and FFTW (http://www.fftw.org/) libraries

If something is not clear, you can find the list of the prerequisites here:

http://www.quantum-espresso.org/wp-c...ser_guide.html (http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/user_guide.html)

in section 2 (installation).


I had already installed the gfortran and gcc compilers but i read that the Intel's compilers may improve the performance, so I installed Intel Fortran Composer XE 2013, which includes the ifort compiler and MKL library. Later, I found in the non-commercial section of Intel website (http://software.intel.com/en-us/non-...re-development (http://software.intel.com/en-us/non-commercial-software-development)) that it is also possible to download Intel Parallel Studio XE 2013, which contains both the Fortran and the C compilers, plus the MKL, plus some tools for parallel computing (http://software.intel.com/en-us/inte...llel-studio-xe (http://software.intel.com/en-us/intel-parallel-studio-xe)).

Here, the list of all my doubt:

1) Is it possible to erase the entire folder (/opt/intel) in which I saved Intel Composer (the folder did not exist before) in order to later re-create it for installing Parallel Studio? Such an operation will totally remove Composer from my system?

2) Does Intel Parallel Studio contain the MPI library and the MPI compilers? I tried to understand from the website (http://software.intel.com/en-us/inte...llel-studio-xe (http://software.intel.com/en-us/intel-parallel-studio-xe)) but it is not clear to me.

3) Does MKL contain the FFTW library? I read (http://software.intel.com/en-us/arti...tw3-interfaces (http://software.intel.com/en-us/articles/intel-mkl-main-libraries-contain-fftw3-interfaces)) that it contains the FFTW3 interfaces, but I am not an expert and I do not really understand if it is the same thing or not.


I will be very thankful to whoever will give an answer to even just one of these three points! :grin: