Band interpolation problem, MoS2 full relativistic

[Fabiof]

Dear all,

I have this problem when i try to interpolate the bandstructure for MoS2, with or without the QP corrections.

Code: Select all

[eagle:02983] 
Signal: Segmentation fault (11)
[eagle:02983] Signal code: Invalid permissions (2)
[eagle:02983] Failing at address: 0x78de70
[eagle:02983] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0x11390)[0x7fec47005390]
[eagle:02983] [ 1] ypp(__intel_ssse3_rep_memmove+0x1e87)[0x788ae7]
[eagle:02983] [ 2] ypp(for_cpystr+0x38)[0x722998]
[eagle:02983] [ 3] ypp[0x540cc3]
[eagle:02983] [ 4] ypp[0x461470]
[eagle:02983] [ 5] ypp[0x4598c8]
[eagle:02983] [ 6] ypp[0x410c67]
[eagle:02983] [ 7] ypp[0x40bcc7]
[eagle:02983] [ 8] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf0)[0x7fec46c4b830]
[eagle:02983] [ 9] ypp[0x40ade9]
[eagle:02983] *** End of error message ***
Segmentation fault

The output file of the interpolated bands gives the bandstructure of MoS2 with DFT energies with or without the QP corrections.
You can see it the in the attached files.

Do you know why i have this error?

[Daniele Varsano]

Dear Fabio,
are you running ypp in serial o in parallel?
Generally, there is no need to run ypp in parallel, maybe this thread can help you to spot the problem:
viewtopic.php?f=14&t=1071&p=4870&hilit=invalid#p4870

Best,
Daniele