[QE-users] qe-6.5 can not run
Paolo Giannozzi
p.giannozzi at gmail.com
Tue Jan 14 12:48:47 CET 2020
On Tue, Jan 14, 2020 at 10:51 AM 王少锋(Shaofeng) <wangshaofeng at iae.ac.cn>
wrote:
I compiled qe-6.5 using intel compiler 2013
>
the code writing the xml data file does not work well with old Intel
compilers. Comment out
CALL pw_init_qexsd_input(qexsd_input_obj, obj_tagname="input")
at line 1587 of PW/src/input.f90 (no functionalitywill be affected). In
case of further trouble with DFT+U, try the attached patch
Paolo
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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