On Sun, Oct 18, 2020 at 1:26 PM Shaofeng Wang <[email protected]> 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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