[Q-e-developers] NEB.x "from test_input_xml: Empty input file .. stopping"

Kun Wang wangkunsuc at gmail.com
Tue Jan 6 16:36:20 CET 2015


Hi, dear professor,
     Now I'm applying neb.x ( Version is QE5.0.2) to calculate the
potential energy of the pathway given by CPMD. But when I submit the file,
it always reminds me that "from test_input_xml: Empty input file ..
stopping". I checked the input file many times as the tutorial of the
website, but I cannot find any problem.
Here I have copied the submission file:
*#!/bin/bash*

*#PBS -V*
*#PBS -l nodes=1:ppn=8*
*#PBS -l walltime=00:10:00*
*#PBS -N ALB-H2.neb*

*cd $PBS_O_WORKDIR/*

*. enable_arcus_mpi.sh*

*mpirun $MPI_HOSTS neb.x -in ALB-H2.neb.in <http://ALB-H2.neb.in>*

I'm not sure if there is any problem about the submission of mpirun. I also
attached the input file (ALB-H2.neb.in) and output file (ALB-H2.neb.o280753
and ALB-H2.neb.e280753). I tried to use pw.x code to run it but it also
failed. How can I submit this job.
     Is there any differences from that submitting a job of cp.x code?
Every jobs I submitted before  are successful only change the keyword of
*neb.x* to *cp.x* in the submission file.
Many thanks
Best
KUN WANG
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