[QE-users] MPI error

[Suraj P]

Dear QE users,

Im trying to do a relaxation calculation of a Copper unit cell doped with Nickel. 75 % of the atoms are doped with Nickel and the remaining atoms are Copper.
During the vc-relax calculation, Im getting an error message as follows, and the calculation gets automatically terminated:
______________________________________________________________________________________________

 forrtl: severe (24): end-of-file during read, unit -5, file Internal List-Directed Read
Image              PC                Routine            Line        Source             
pw.x               0000000000FE39AB  Unknown               Unknown  Unknown
pw.x               00000000010143B2  Unknown               Unknown  Unknown
pw.x               0000000001013138  Unknown               Unknown  Unknown
pw.x               0000000000A03FCC  read_cards_module         135  read_cards.f90
pw.x               00000000009230B6  read_input_mp_rea          67  read_input.f90
pw.x               000000000040BF62  MAIN__                     84  pwscf.f90
pw.x               000000000040BDD2  Unknown               Unknown  Unknown
libc-2.17.so       00007F893BB0A555  __libc_start_main     Unknown  Unknown
pw.x               000000000040BCE9  Unknown               Unknown  Unknown
______________________________________________________________________________


I have attached the input and output files herewith. Kindly help me in troubleshooting this issue.
Im using quantum_espresso-6.8 and openmpi-5.0.3 compiler.

Thanks regards
Suraj
Research student,IIT kharagpur
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