| Documentation |
VASP 4.6.25 was compiled using the Intel-7.1 compilers and
uses the Intel MKL libraries for a BLAS. As long as you run VASP
with the "vasprun" that is included with the "+vasp-4.6.25"
keyword, no further modification of your Softenv is necessary.
VASP 4.6.25 can coexist with other MPICH compilers/libraries in
your environment.
Running on Jazz:
- In order to run VASP, you can simply execute the "vasprun"
command. This script has the correct MPICH libraries included in
the environment. It also starts
VASP up with the appropriate number of processors, according to
your PBS environment variables.
- If you need an example PBS script to run VASP, see
/soft/apps/packages/vasp-4.6.25/script/vasp-test on Jazz.
Links to online documentation:
General notes:
- VASP is subject to license conditions that restrict it's use.
You need a VASP license to become a member of the "vasp46" unix group in order to
use VASP on Jazz. Please email consult@lcrc.anl.gov if you
are interested in using VASP on Jazz.
Useful Tools:
- Vasp Data
Viewer - A user recommended visualization tool for
Windows.
- P4VASP
- Another user recommend viz tool for VASP. This has been
installed on Jazz but we are currently sorting out a few bugs in
the code. Please email consult@lcrc.anl.gov if
you are interested in using P4VASP.
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