Hi Lorenzo,
The traceback points to error in the following lines of code. I’m using the 6.6
version:
Pairs(full): 64 Pairs(included): 32 Pairs(%):
50.00
#0 0x7f7e1e1775cf in ???
#0 0x7ef9143ec5cf in ???
#0 0x7f1004e455cf in ???
#0 0x7f53ff1115cf in ???
#1 0x53ccde in __loc_scdm_k_MOD_absovg_k
at
/pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/loc_scdm_k.f90:263
#2 0x53da51 in __loc_scdm_k_MOD_localize_orbitals_k
at
/pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/loc_scdm_k.f90:94
#3 0x4197c7 in electrons_
at
/pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/electrons.f90:190
#4 0x533b40 in run_pwscf_
at
/pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/run_pwscf.f90:144
#5 0x407565 in pwscf
at
/pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/pwscf.f90:106
#6 0x40729c in main
at
/pylon5/phy200043p/azeeshan/software/qe/6.6-gcc_openmpi/PW/src/pwscf.f90:40
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