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TDEP Tutorials
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segmentation fault for 01_basics/GaN_infiles #53

Open tsiayigong opened 11 months ago

tsiayigong commented 11 months ago

Dear developers, When I try to run the basic examples for GaN via extract_forceconstants -rc2 100 --polar -s 50, I obtain some error:

 ... reading unitcell
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
libpthread-2.31.s  0000151BA2979420  Unknown               Unknown  Unknown
extract_forcecons  00000000009B0882  Unknown               Unknown  Unknown
extract_forcecons  00000000009A09E1  Unknown               Unknown  Unknown
extract_forcecons  00000000007E260D  Unknown               Unknown  Unknown
extract_forcecons  0000000000415D02  Unknown               Unknown  Unknown
extract_forcecons  0000000000410A3D  Unknown               Unknown  Unknown
libc-2.31.so       0000151B9A2BD083  __libc_start_main     Unknown  Unknown
extract_forcecons  000000000041095E  Unknown               Unknown  Unknown

If you have any suggestion?

davy12344 commented 8 months ago

Hi, I also have this problem. Have you solve it ?

m-a-saleh commented 8 months ago

I also have this problem.

OS: Ubuntu 22 LTS extract_forceconstants version: 1.2 Compiler: Intel Fortran compiler mpiifort version 2021.11.1. I tried with both -O0 and -O3 optimization flags.

The error seems to be related to symmetry checking. Compiling with -g -traceback debuging flag gives the following error:

READ STRUCTURE AND SETUP CUTOFFS
 ... reading unitcell
forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
libc.so.6          000006CA76242520  Unknown               Unknown  Unknown
extract_forcecons  000000000097BCEF  type_symmetryoper         845  type_symmetryoperation.f90
extract_forcecons  000000000096C8D6  type_symmetryoper         559  type_symmetryoperation.f90
extract_forcecons  00000000007BC97C  type_crystalstruc          60  type_crystalstructure_symmetry.f90
extract_forcecons  00000000004147D5  MAIN__                     48  main.f90
extract_forcecons  000000000040F91D  Unknown               Unknown  Unknown
libc.so.6          000006CA76229D90  Unknown               Unknown  Unknown
libc.so.6          000006CA76229E40  __libc_start_main     Unknown  Unknown
extract_forcecons  000000000040F835  Unknown               Unknown  Unknown