Thank you for your reply.
The instructions are
Login to Stampede if you have not already
First, add loading Python and VASP to your .bashrc
$ vi ~/.bashrc
your other .bashrc stuff here
module load python/2.7.12
module load vasp/5.4.1
Normally, I would suggest Python3, but Python3 is not compatible with VASP on Stampede (incompatible compilers)
Load your .bashrc with the changes we just made.
$ source ~/.bashrc
Both of these commands should then give you output
$ which vasp_std
$ which python
I wonder the compatibility issue is still applied on Stampede2.
2017년 8월 17일 목요일 오후 12시 48분 42초 UTC-4, Anubhav Jain 님의 말:
I think Brandon wrote those instructions (?) and would need to clarify here.
On Thursday, August 17, 2017 at 8:28:18 AM UTC-7, [email protected]com wrote:
To whom it may concern,
I am trying to install atomate, pymatgen, fireworks, and custodian on stampede2. When I read their manual to install (ppt file in atomate-config-templates), I found that it suggest python/2.7 rather than python3 because Python3 is not compatible with VASP on Stampede.
I wonder if Python3 is not compatible with VASP on “Stampede2”.
Thank you for your help.