The package Quantum ESPRESSO (http://www.quantum-espresso.org/) is composed of several quantum computation codes.
Installation is completed as following steps: (Note: since it uses fftw2 -- fftw3 might crash the program, therefore we need to unload the fftw3 module first, and use ESPRESSO's built-in fftw2 library instead)
modules loaded on clustervision
module add pgi/6.1.0
module add mpich/mx/pgi/64
First, we configure the Makefile by the following command
./configure --prefix=/home/mingjun LIBDIRS=/home/mingjun/acml/pgi64/lib -FFLAGS="-fastsse" CFLAG=-fast LDFLAGS=-static
It will generate the makefile for parallel executables since it uses mpif90, and then run
make all
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