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.

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

[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

[Wien] installation of wien2k

2012-04-29 Thread Ramkumar Thapa
Hi Gerahrd, Lawrence and Peter, We have installed successfully wien2k 10 11 vers. in cenos 6 and sicentific linux OS but with ifort composerxe 2011.1.080 in my corei7 laptom. We could now run big cases with many atoms ans also spin polarised systems. However one has to be careful with the library

[Wien] installation of wien2k 11.1 in ubuntu

2012-01-22 Thread Ramkumar Thapa
Dear Dr. Sanjay First of all my hearty Congratulations for installing Wien2k 11.1 code on Ubuntu 10.04.3 (64 bit) on Dell Core i3 laptop of 3 GB RAM with Intel FORTRAN composerxe2011.3.174. May i request you to kindly send me the OPTION file (in wien2k code) and the .bashrc file that you have

[Wien] installation of wien2k 11.1 in ubuntu

2012-01-22 Thread Juan José Torres
] installation of wien2k 11.1 in ubuntu Dear Dr. Sanjay First of all my hearty Congratulations for installing?Wien2k 11.1 code on Ubuntu 10.04.3 (64 bit) on Dell Core i3 laptop of 3 GB RAM with?Intel?FORTRAN?composerxe2011.3.174. May i request you to kindly send me the OPTION file (in wien2k

[Wien] installation of WIEN2K

2009-06-24 Thread علاء عبد الحميد
Dear all I have a problem in installing WIEN2K package . I installed fedora 10 and IFC but I can not install WIEN2K in this system.what I did tar -xvf WIEN2K_09.tarI obtained all the files) gunzip *.gz the file changed to be *.tar chmod +x ./expand _lapw there was no responce I don't

[Wien] Installation of WIEN2K

2008-05-14 Thread shameem banu
Dear Dr.Peter Blaha, I would like to work WIEK2K in Federo Core 8 . What are the suitable intel compiler and MKL versions? Thank you for sparing your precious time. With regards DR.SHAMEEM BANU - Explore your hobbies and interests.

[Wien] installation of Wien2k.07

2008-01-28 Thread Ivas Toni
] On Behalf Of ABD 01 Sent: Monday, January 28, 2008 10:37 AM To: A Mailing list for WIEN2k users Subject: [Wien] installation of Wien2k.07 ?Hello, I'd ask if the version of WIEN2K.07 can be insttaled with UNIX susse10.2, if no wich UNIX We Shall instal?.tuwien.ac.at www.jubii.fr c'est une seule