<html><head><meta http-equiv="Content-Type" content="text/html; charset=UTF-8"></head><body ><div>Dear Zeina, </div><div>Change "wannier90.x <lead.win> lead.wout" to "wannier90.x lead.win" </div><div><br></div><div>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. </div><div><br></div><div>Giovanni </div><div><br></div><div><br></div>-- <div><span class="Apple-style-span" style="font-size: 10px; ">Giovanni Pizzi</span></div><div><span class="Apple-style-span" style="font-size: 10px;">Post-doctoral Research Scientist</span></div><div><span class="Apple-style-span" style="font-size: 10px;">EPFL STI IMX THEOS</span></div><div><span class="Apple-style-span" style="font-size: 10px;">MXC 340 (Bâtiment MXC)</span></div><div><span class="Apple-style-span" style="font-size: 10px;">Station 12</span></div><div><span class="Apple-style-span" style="font-size: 10px;">CH-1015 Lausanne (Switzerland) </span></div><div><span class="Apple-style-span" style="font-size: 10px;">Phone: +41 21 69 31124</span></div><br><br><br>-------- Messaggio originale --------<br>Da: Zeina Al-Dolami <zaldolam@email.uark.edu> <br>Data: <br>A: wannier@quantum-espresso.org <br>Oggetto: [Wannier] no lead.wout data <br> <br><br><div dir="ltr"><pre style="white-space:pre-wrap">Dr.Arash,<br></pre><pre style="white-space:pre-wrap">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 <br><br></pre><pre style="white-space:pre-wrap">Zeina Al-Dolami<br></pre><pre style="white-space:pre-wrap">PhD Candidate in MEPH<br></pre><pre style="white-space:pre-wrap">University of Arkansas<br></pre><pre style="white-space:pre-wrap">Fayetteville, AR 72703<br></pre><pre style="white-space:pre-wrap">#/bin/sh<br><br>#PBS -N serialjob<br>#PBS -q serial8core<br>#PBS -j oe<br>#PBS -m abe<br>#PBS -M <a href="mailto:zaldolam@uark.edu" target="_blank">zaldolam@uark.edu</a><br>#PBS -o wannier.$PBS_JOBID.serial8core<br>#PBS -l nodes=1:ppn=1<br>#PBS -l walltime=01:00:00<br><br>cd $PBS_O_WORKDIR<br><br>/share/apps/espresso/espresso-5.1/bin/wannier90.x <lead.win> lead.wout <br></pre></div>
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