Error related to PID while testing "Pb" and "Sc" examples

[SreenivasIKST]

Dear Mitsuaki

I am trying to run the "Pb" example by including the spin-orbit coupling effects. calculations related to phonon finished successfully. But While doing "kel" calculation the calculation is terminating with the following error.

Program SCTK v.7.3 starts on 15Apr2024 at 13:39:31

 This program is part of the open-source Quantum ESPRESSO suite
 for quantum simulation of materials; please cite
     "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
     "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
     "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
      URL http://www.quantum-espresso.org",
 in publications or presentations arising from this work. More details at
 http://www.quantum-espresso.org/quote

 Parallel version (MPI), running on    64 processors

 MPI processes distributed on     1 nodes
 K-points division:     npool     =      64
 78202 MiB available memory on the printing compute node when the environment starts

 git hash : 0e8d566581ed04f1368c9dfd78dadffce10d7565

 Reading xml data from directory:

 ./pwscf.save/

Error reading attribute index: expected integer, found Error reading attribute index: expected integer, found Error reading attribute index: expected integer, found Error reading attribute index: expected integer, found Error reading attribute index: expected integer, found *

 IMPORTANT: XC functional enforced from input :
 Exchange-correlation= PBE
                       (   1   4   3   4   0   0   0)
 Any further DFT definition will be discarded
 Please, verify this is what you really want

 G-vector sticks info
 --------------------
 sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
 Sum         859     433    151                16889     5985    1211

 Using Slab Decomposition

=================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 1 PID 398364 RUNNING AT amd04 = KILLED BY SIGNAL: 9 (Killed)

A similar error is observed with "Sc" element while reading dVscf from file dv in electron-phonon matrix calculation with the following epmat.in input file.

"Electron-phonon matrix &INPUTPH lshift_q = .true. ldisp = .true. ! search_sym = .false. nq1 = 6 nq2 = 6 nq3 = 6 fildvscf = 'dv' electron_phonon = 'scdft_input' nk1 = 6 nk2 = 6 nk3 = 6 elph_nbnd_min = 7 elph_nbnd_max = 8 / "

Error part from epmat.out file Atomic displacements: There are 6 irreducible representations

 Representation     1      1 modes -  To be done

 Representation     2      1 modes -  To be done

 Representation     3      1 modes -  To be done

 Representation     4      1 modes -  To be done

 Representation     5      1 modes -  To be done

 Representation     6      1 modes -  To be done

 Message from routine init_vloc:
 Interpolation table for Vloc re-allocated
 PHONON       :     39.77s CPU   1m 2.38s WALL

 Reading dVscf from file dv

=================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 0 PID 381655 RUNNING AT amd04 = KILLED BY SIGNAL: 6 (Aborted)

=================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 1 PID 381656 RUNNING AT amd04 = KILLED BY SIGNAL: 9 (Killed)

=================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 2 PID 381657 RUNNING AT amd04 = KILLED BY SIGNAL: 9 (Killed)

=================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 3 PID 381658 RUNNING AT amd04 = KILLED BY SIGNAL: 9 (Killed)

I have tested with the basic version and advanced version of SCTK compilation and ended with the same errors.

Please let me know is there any way to overcome the PID errors.

I appreciate any help you can provide.

With Regards, Dr. Sreenivasa Reddy NTU, Taiwan.