[Wien] Installation of wien2k in compact clusters.

2023-05-29 Thread Burhan Ahmed
Dear experts, I am having a compact cluster with 100gb RAM, 36 cores and 12 TB SATA hard disk. I want to install wien2k_23.1 version in my system with intel oneapi compiler, such that I can do the parallel calculation and also can do the remote access from outside the lab. Is there any installation

Re: [Wien] Installation of wien2k in compact clusters.

2023-05-29 Thread Gavin Abo
OneAPI likely can still be installed following the post at: https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21942.html Looks like someone made a WIEN2k 23.2 install YouTube video here: https://youtu.be/_Gms-iie3Jo Since there is too many remote access (ssh, VPN) programs, I can

Re: [Wien] Installation of wien2k in compact clusters.

2023-05-29 Thread Gavin Abo
I installed OneAPI (ifort 2021.9.0) on a computer today.  With it, I was able to compile and link without any build errors a fresh install of WIEN2k 23.2 in Ubuntu 22.04.2 LTS. The installation seemed simpler with OneAPI as it took me 11 steps instead of the 14 it took me with gfortran. Shou