[QE-users] fail to install qe 6.6 using /soft/compiler/intel/composer_xe_2013_sp1.0.080/bin/intel64/ifort

[Paolo Giannozzi]

On Sun, Oct 18, 2020 at 1:26 PM Shaofeng Wang <wangshaofeng at iae.ac.cn>
wrote:

I am trying to install qe6.6 using
> /soft/compiler/intel/composer_xe_2013_sp1.0.080/bin/intel64/ifort. But
> the compiled pw.x can not run with the error as follow.
>
>  [...]
> pw.x               00000000005F84FD  pw_init_qexsd_inp         427
> pw_init_qexsd_input.f90
>
> pw.x               00000000005343F1  iosys_                   1683
> input.f90
>
> pw.x               0000000000625207  run_pwscf_                 91
> run_pwscf.f90
>
> pw.x               000000000047041D  MAIN__                    106
> pwscf.f90
>
>
Intel fortran v.2012 and 2013 have a problem with the way optional
arguments are used in routine pw_init_qexsd_input.f90. Just comment it out:
input data will not be written to xml file but this has no consequences

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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