[Wannier] R: no lead.wout data

[Giovanni Pizzi]

Dear Zeina, 
Change "wannier90.x <lead.win> lead.wout" to "wannier90.x lead.win" 

In fact, wannier90 wants the input file as a command line parameter and not in standard input. Similarly, the output file lead.wout is automatically generated; adding the stdout redirection to the same file will overwrite it with the standard output, that is empty, hence the empty file. 

Giovanni 


-- 
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 340 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland) 
Phone: +41 21 69 31124

-------- Messaggio originale --------
Da: Zeina Al-Dolami <zaldolam at email.uark.edu> 
Data:  
A: wannier at quantum-espresso.org 
Oggetto: [Wannier] no lead.wout data 
 
Dr.Arash,
Thanks so much for your response. I have run example 2 and there was no output data. An empty file, lead.wout, was generated. Below is the serial job script that I have used to run wannier90.x. Please let me know what I miss. Thanks in advance 

Zeina Al-Dolami
PhD Candidate in MEPH
University of Arkansas
Fayetteville, AR 72703
#/bin/sh

#PBS -N serialjob
#PBS -q serial8core
#PBS -j oe
#PBS -m abe
#PBS -M zaldolam at uark.edu
#PBS -o wannier.$PBS_JOBID.serial8core
#PBS -l nodes=1:ppn=1
#PBS -l walltime=01:00:00

cd $PBS_O_WORKDIR

/share/apps/espresso/espresso-5.1/bin/wannier90.x <lead.win> lead.wout 
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