[Pw_forum] Help with Building and Installing Quantum Espresso

[Jean Martel]

Hello,

I am fairly new to Linux and computational chemistry packages (only about a
month of experience), and I want to apologize in advance if my questions
are stupid.
I need some help with building and installing Quantum Espresso on my
desktop running under Ubuntu 12.04. I am interested in running
GPU accelerated TD-DFT calculations to compute excited-state properties,
with occasional B3LYP geometry optimizations. One of the main issues I am
having is the with the two different QE-GPU versions, there are version
5.01 and 5.02. However 5.02 contains much fewer and totally different
files, and I am not sure which one to use. Any guidance or pointers on how
to build and install QE  on my system for the types of calculations i am
looking for would be great.

My System Specifications:
Ubuntu12.04
gcc 4.6.3 with gfortran
Intel MKL version 11 update 1
Cuda 5.0
Hexacore i7-3930K
Dual Gtx 690
64 GB RAM

Thanks in advance.
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