[Pw_forum] Trouble installing PP package for Quantum-Espresso 5.0

[Paolo Giannozzi]

On Tue, 2013-12-10 at 16:34 -0500, Zhongnan Xu wrote:


> Error: Exponent at (1) must be INTEGER for an initialization
> expression
>  In file elf.f90:222
>       rdg(i) = fac * 100.d0 / abs(rho%of_r(i,1))**(4.d0/3.d0)
>  [...] Am I using the wrong compiler or incorrect options? What can I
> do to fix this? Thanks.

some compilers do not like powers with non-integer exponent in a
declaration. If you look a few lines above the one you mention,
you will likely find:
real(dp), parameter :: fac = (1.d0/2.d0)*1.d0/(3.d0*pi**2)**(1.d0/3.d0)
In more recent QE versions (e.g. 5.0.3) "fac" is just declared as real,
not parameter, then initialized in the first executable line

P.
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222