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<p>Did you run userconfig_lapw [1] once to setup the WIENROOT
variable in .bashrc (or .cshrc)?</p>
<p>[1]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19445.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19445.html</a><br>
</p>
<div class="moz-cite-prefix">On 1/15/2021 8:04 AM, Subhasis Panda
wrote:<br>
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<blockquote type="cite"
cite="mid:CAG7KuRVx7TcJJ54uso59dn5MAXG8r9jNkHGK2fHjoGW0iu2CLw@mail.gmail.com">
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<div style="font-family:sans-serif" dir="auto">Dear Users and
experts,</div>
<div style="font-family:sans-serif" dir="auto"><br>
</div>
<div style="font-family:sans-serif" dir="auto"><br>
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<div style="font-family:sans-serif" dir="auto">We have installed
Wien2k_19.1 in a HPC (Processor: dual socket 18 core per
socket intel skylake processor, RAM: 96 GB ECC DDR4 2133 MHz
RAM in balanced configuration, Operating system: CentOS-7.3).
w2web is working fine. After structure generation and
initialization, I tried to run scf using "run_lapw -ec 0.0001
-cc 0.000" from the terminal. But it gives "bash: run_lapw:
command not found...". While using
"/opt/HPC_Applications/WIEN2k/run_lapw -ec 0.0001 -cc 0.0001"
command I got "WIENROOT: Undefined variable". WIEN2k is the
root directory. I am using the system for the first time and
missing something seriously. Kindly suggest me.</div>
<div style="font-family:sans-serif" dir="auto"><br>
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<div style="font-family:sans-serif" dir="auto">Please provide me
some information about the .machine file for parallel
execution.<br>
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<div style="font-family:sans-serif" dir="auto"><br>
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<div style="font-family:sans-serif" dir="auto">Thank you in
advance.</div>
</div>
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