Hi, I am trying to run an input file from QE on High Performance Cluster but it gives the following error :- *Error in routine read_namelists (1):* *reading namelist ions*
Input :- &CONTROL calculation = 'relax' , pseudo_dir = '/home/vishalgupta/GB' , prefix = 'Ni_exc1' , / &SYSTEM ibrav = 2, celldm(1) = 3.52, nat = 47, ntyp = 1, ecutwfc = 20 , / &ELECTRONS mixing_beta = 0.7 , diagonalization = 'cg' , / ATOMIC_SPECIES Ni 58.69340 Ni.pz-hgh.UPF ATOMIC_POSITIONS alat Ni 14.934095219 4.978031740 10.000000000 ... K_POINTS automatic 6 6 6 0 0 0 Output :- MPI_ABORT was invoked on rank 1 in communicator MPI_COMM_WORLD with errorcode 1. NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes. You may or may not see output from other processes, depending on exactly when Open MPI kills them. Parallel version (MPI), running on 20 processors R & G space division: proc/nbgrp/npool/nimage = 20 Reading input from a.in Error in routine read_namelists (1): reading namelist ions THANK YOU Vishal Gupta B.Tech. 2nd year Mechanical Indian Institute of Technology Ropar Rupnagar (140001), Punjab, India. Email :- vishal.gu...@iitrpr.ac.in
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