I am using Abinit 7.6.3 to calculate polarization of a material using Berry phase formulation. The scf ground state calculation can be completed successfully but when I proceed to the berry phase calculation I encounter the segmentation fault error.
Below is some snippet of the errors in log file:
Code: Select all
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
10.4035070 0.0000000 0.0000000 | 10.4035070 0.0000000 0.0000000
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
0.0000000 10.4035070 0.0000000 | 0.0000000 10.4035070 0.0000000
0.0000000 0.0000000 14.8194731 | 0.0000000 0.0000000 14.8194731
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
--- !WARNING
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
message: |
Backtrace for this error:
Backtrace for this error:
input nkpt=30 not equal disk file nkpt=12
src_file: m_header.F90
src_line: 3838
...
Code: Select all
-inwffil : will read wavefunctions from disk file SrTiO3o_DS1_WFK
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
Backtrace for this error:
#0 0x2AE6CC12F457
#1 0x2AE6CC12FA6E
#2 0x33DB4302CF
#0 0x2B8CAC3EA457
#1 0x2B8CAC3EAA6E
#2 0x33DB4302CF
#3 0xE8FBEA in __m_distribfft_MOD_copy_distribfft
#3 0x#4 0xDFBB3E in copy_mpi_enreg_
E8FBEA in __m_distribfft_MOD_copy_distribfft
#4 0xDFBB3E in copy_mpi_enreg_
#0 0x2ABADD12F457
#1 0x2ABADD12FA6E
#0 #0 0x2B4625A1D457
#1 0x2B4625A1DA6E
#2 0x31364302CF
#2 0x31364302CF
0x2AE669B7B457
#1 0x2AE669B7BA6E#5 0x4DFAB8 in inwffil_
#5 #2 0x0x#6 0x48A21D in gstate_
4DFAB8 in inwffil_31364302CF
#7 0x42AB1E in gstateimg_
#8 0x41C297 in driver_
#3 0xE8FBEA in __m_distribfft_MOD_copy_distribfft
#3 0xE8FBEA in __m_distribfft_MOD_copy_distribfft
#6 #9 0x414569 in MAIN__ at abinit.F90:0
0x48A21D in gstate_#4 0xDFBB3E in copy_mpi_enreg_
#4 0xDFBB3E in copy_mpi_enreg_
#3 0xE8FBEA in __m_distribfft_MOD_copy_distribfft
.....
The full log file and input file are attached below.
Thank you.