[Wien] run_lapw command not found

[Gavin Abo]

Did you run userconfig_lapw [1] once to setup the WIENROOT variable in 
.bashrc (or .cshrc)?

[1] 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19445.html

On 1/15/2021 8:04 AM, Subhasis Panda wrote:
> Dear Users and experts,
>
>
> 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.
>
> Please provide me some information about the .machine file for 
> parallel execution.
>
> Thank you in advance.
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