For building VASP version 6, please review building VASP 6 on Caviness/DARWIN documentation. Please see 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.
[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