[Pw_forum] problem during pw4gww.x calculations
Mortaza Aghtar
meisam.a63 at gmail.com
Tue May 16 16:02:25 CEST 2017
Dear All,
I want to run GW calculations for boron-nitride sheet. First I ran a scf
calculation
for only the gamma point. Then I ran pw4gww.x to get the wannier's
matrices. But
after some steps I get this error in the log file:
----
forrtl: severe (151): allocatable array is already allocated
Image PC Routine Line Source
pw4gww.x 0000000000A998FB Unknown Unknown Unknown
pw4gww.x 000000000048011D matrix_wannier_ga 274
matrix_wannier_gamma.f90
pw4gww.x 000000000042B848 go_wannier_ 104
wannier.f90
pw4gww.x 0000000000412A02 produce_wannier_g 216
produce_wannier_gamma.f90
pw4gww.x 000000000040D707 MAIN__ 494
pw4gww.f90
pw4gww.x 000000000040C7DE Unknown Unknown Unknown
libc.so.6 00007F0EB0E1DB35 Unknown Unknown Unknown
pw4gww.x 000000000040C6E9 Unknown Unknown Unknown
-----
All the calculations are in parallel for the wave functions.
Thank you in advance.
Regards,
Mortaza
Dr Mortaza Aghtar
Postdoctoral research fellow
Ulm University,
Germany
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