[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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