software:vasp:caviness

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software:vasp:caviness [2018-10-01 10:54] – ssunkarasoftware:vasp:caviness [2024-11-12 16:49] (current) – anita
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 +====== VASP on Caviness ======
  
 +For building VASP version 6, please review [[technical:recipes:vasp-6-darwin| building VASP 6 on Caviness/DARWIN]] documentation. Please see [[https://github.com/jtfrey/vasp-dynamic-mpi-block-patch|VASP: Dynamic MPI_BLOCK patch]]: a patch to VASP to make MPI_BLOCK configurable via an environment variable.
 +
 +The build procedures with complete example build files for VASP on Caviness have been prepared and copied at ''/opt/shared/vasp'' for baseline builds of 5.3.2 and 5.4.1. You can find the build instructions in the ''README.md'' file for each of the respective directories.
 +
 +<code bash>
 +[traine@login01 ~]$ cd /opt/shared/vasp
 +[traine@login01 vasp]$
 +[traine@login01 vasp]$
 +[ssunkara@login01 vasp]$ ls -l
 +total 22
 +drwxr-sr-x 4 frey sysadmin    5 Sep 26 15:57 5.3.2
 +drwxr-sr-x 2 frey sysadmin    4 Sep 26 15:32 5.4.1
 +-rw-r--r-- 1 frey sysadmin 2167 Sep 26 15:22 README.md
 +-rw-r--r-- 1 frey sysadmin  807 Sep 26 15:29 vasp.vpkg_yaml
 +
 +</code>