Re: [Wien] Installation of wien2k in compact clusters.
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. Should it be of interest to anyone installing the 23.2 version of WIEN2k with OneAPI, the PDF in which I recorded the steps should be at: https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_OneAPI(ifort).pdf If interested in knowing the installation differences between OneAPI and gfortran, you may compare the OneAPI steps with those for gfortran. The link to gfortran PDF is in the past post at: https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg22450.html Kind Regards, Gavin WIEN2k user On 5/29/2023 11:59 AM, Gavin Abo wrote: 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 cannot help with that as usage of each of them are different. I suggest you talk to your IT department at your organization as each organization usually should have webpages with usage information, program documentation for the particular cluster computer being used, and/or a help desk that assists with usage. Kind Regards, Gavin WIEN2k user On 5/29/2023 4:09 AM, Burhan Ahmed wrote: 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 tutorial available ( video will be helpful) apart from the wien2k user guide one. Regards Burhan Ahmed *Research Scholar, AUS * ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Installation of wien2k in compact clusters.
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 cannot help with that as usage of each of them are different. I suggest you talk to your IT department at your organization as each organization usually should have webpages with usage information, program documentation for the particular cluster computer being used, and/or a help desk that assists with usage. Kind Regards, Gavin WIEN2k user On 5/29/2023 4:09 AM, Burhan Ahmed wrote: 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 tutorial available ( video will be helpful) apart from the wien2k user guide one. Regards Burhan Ahmed *Research Scholar, AUS * ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] Installation of wien2k in compact clusters.
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 tutorial available ( video will be helpful) apart from the wien2k user guide one. RegardsBurhan AhmedResearch Scholar, AUS ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] installation of wien2k
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 files (32 bit) which is querried during installation of ifort 11.1.080. We are now working with wien2k 11.1 with ifort12.2 update 5. Thanks a lot to Gerhard and Lawrence. Prof.R.K.Thapa Mizoram University Aizawl India -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120429/1cfd03ff/attachment.htm
[Wien] 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 code) and the .bashrc file that you have created. Thanking you, Prof.R.K.Thapa Mizoram University Physics Deptt. Aizawl -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120122/d054fb0b/attachment.htm
[Wien] installation of wien2k 11.1 in ubuntu
Dear Dr. Sanjay? Please, send your OPTIONS file for all we are interested. Regards. JJ De: Ramkumar Thapa r.k.thapa at gmail.com Para: Mailing list for WIEN2k users wien at zeus.theochem.tuwien.ac.at Enviado: Domingo, 22 de enero, 2012 0:12:13 Asunto: [Wien] 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 code) and the .bashrc file that you have created. Thanking you, Prof.R.K.Thapa Mizoram University Physics Deptt. Aizawl ___ Wien mailing list Wien at zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120122/d3179bab/attachment.htm
[Wien] installation of WIEN2K
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 know why. If you please let me know how i continue with the installation Aladin -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20090624/655de253/attachment.htm
[Wien] Installation of WIEN2K
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. Click here to begin. -- next part -- An HTML attachment was scrubbed... URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080514/90d59e28/attachment.html
[Wien] installation of Wien2k.07
Hi, I think WIEN2k can be installed on all flavours of Linux, I have it running on Gentoo distribution(compiled from the source), so it certainly runs also on all known Linux distributions (suse, red hat etc). What you need to have installed is good Fortran compiler like Intel version 9 or so with mkl libraries, which are highly optimized for number crunching. Point is if your fortran compiler works fine then wien2k will also.. Best regards, Toni Ivas -Original Message- From: wien-bounces at zeus.theochem.tuwien.ac.at [mailto:wien-boun...@zeus.theochem.tuwien.ac.at] 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 interface pour communiquer. Email, t?l?phone gratuit, messagerie instantan?e, 10 Go d'espace de stockage. Avec www.jubii.fr simplifiez-vous la vie !
