[Pw_forum] espresso-4.0.3 Compilation Issues

W2AGZ w2agz at w2agz.com
Fri Jul 25 19:15:56 CEST 2014

Axel, Paolo...many thanks, as usual.  What would the QE community do without
you guys?  I suspected it was either kbuntu or gfortran.  Here's my agenda
for wanting 4.0.3...for several years I've been doing e-p calcs on CuO
systems of low symmetry using ph, matdyn, lambda... and wanted to try the
EPW package which is based on 4.0.3 (the developers of EPW have yet to
"upgrade" their distributed version of QE...they are quite aware such is
needed).  Anyway, thanks for the fix.  -Paul

-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
Behalf Of Paolo Giannozzi
Sent: Thursday, July 24, 2014 1:56 PM
To: PWSCF Forum
Subject: Re: [Pw_forum] espresso-4.0.3 Compilation Issues

On Thu, 2014-07-24 at 13:18 -0700, W2AGZ wrote:

>       ALLOCATE( upf%nn(upf%nwfc), upf%nn(upf%nwfc), &
> Error: Allocate-object at (1) also appears at (2)

remove the second occurrence of "upf%nn(upf%nwfc)":
       ALLOCATE( upf%nn(upf%nwfc), &
Many small issues like this one have been corrected during the years. This
is why the compilation of old versions on new machines is a pain more often
than not


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

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