[QE-users] pw.x Segmentation failed with libxc

[魏亚东]

Dear all

    Nowadays I am interested in meta-GGA DFT calculation of MoS2 materials.It needs qe package compiled with libxc.

    However after installation complete without error, testing pw.x reports following error: 




forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
libxcf90.so.5.2.3  00002ACD67024118  for__signal_handl     Unknown  Unknown
libpthread-2.17.s  00002ACD68D276D0  Unknown               Unknown  Unknown
pw.x               00000000010F3F0E  Unknown               Unknown  Unknown
pw.x               00000000009973E8  date_and_tim_              23  date_and_tim.f90
pw.x               00000000007E9BF3  environment_mp_en         169  environment.f90
pw.x               000000000040C705  MAIN__                     55  pwscf.f90
pw.x               000000000040C69E  Unknown               Unknown  Unknown
libc-2.17.so       00002ACD68F56445  __libc_start_main     Unknown  Unknown
pw.x               000000000040C5A9  Unknown               Unknown  Unknown





    It seems that libxcf90 were implemented in wrong way. My config.log file and installation information file "make.inc" is listed in the attachment file.

   When excluding libxc in make.inc, all the things runs normally. 

   My QE version is 6.3. with libxc version 4.2.3

Thanks

Yadong Wei

Harbin Institute of Technology
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