[Chemicalphysicstheory] Vasp on Vera

[Noemi Bosio]

Hello everyone,

As you might have noticed the central VASP installation on Vera is not there anymore.
There are now some versions which I compiled which can be used instead.

The way I run them is to give to the run command (t.e. mpirun) the full path to the binary file.

The different VASP versions are found in /cephyr/NOBACKUP/priv/c3-vasp-ghj/Vera/software/VASP/

I compiled today a version for the 6.2.1 with the vtst tools too which seems to work (6.2.1.vtst-intel-2019b)

In order for any version to work properly anyway remember to still load the fortran compiler, for example this works for me:


module load icc/2019.1.144-GCC-8.2.0-2.31.1 impi/2018.4.274

If anyone has questions feel free to ask!

Cheers,
Noemi
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