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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