Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2

2024-03-25 Thread Pranjal Nandi
Subject: Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2 Dear Peter, Thank you. I might have downloaded it from a different website but I did compile it. Just now I downloaded it from the link you had shared and tried to compile, when I gave the command autoreconf -i

Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2

2024-03-25 Thread Pranjal Nandi
guide what should I do. Thank you. With warm regards, Pranjal -Original Message- From: Wien On Behalf Of Peter Blaha Sent: Monday, March 25, 2024 3:59 PM To: wien@zeus.theochem.tuwien.ac.at Subject: Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2 The libxc site

Re: [Wien] Compilation error of Libxc during installation of WIEN2K 23.2

2024-03-25 Thread Peter Blaha
The libxc site has been moved recently to: https://libxc.gitlab.io/ After download, you have to compile it. Did you do this ? Then you need to configure wien2k in siteconfig properly for using libxc. Am 25.03.2024 um 15:29 schrieb Pranjal Nandi: Dear All, Hello. While compiling the 23.2

[Wien] Compilation error of Libxc during installation of WIEN2K 23.2

2024-03-25 Thread Pranjal Nandi
Dear All, Hello. While compiling the 23.2 version, the link mentioned in the pdf (which contains the codes used for the compilation) to install libxc was NOT working (http://www.tddft.org/programs/libxc/down.php?file=6.2.2/libxc-6.2.2.tar.gz). So I tried to download it from other websites and

Re: [Wien] Compilation error with libxc

2016-12-28 Thread Dr. K. C. Bhamu
Thank you Prof, Peter I put FC=ifort when libxc was installed. The below reply may hel me but, its mixed so could not get it. Please help to keep it in parts (the blue one), try with this: i compiled wien2k_16.1 and it worked parfactly. install_libxc3.00sudoapt-get install *autoconfsudoapt-get

Re: [Wien] Compilation error with libxc

2016-12-27 Thread Peter Blaha
On 12/24/2016 03:24 PM, Dr. K. C. Bhamu wrote: Dear Users, I compiled Wien2k_16.1 without any error on latest 64 bit Ubuntu OS on Lenovo laptop with ifort+cc (2015). If I install with LIBXC, I am getting below error(compile.msg file is attached here): Compile time errors (if any) were:

Re: [Wien] Compilation error with libxc

2016-12-24 Thread Nacir GUECHI
try with this: i compiled wien2k_16.1 and it worked parfactly. install_libxc3.00sudoapt-get install autoconfsudoapt-get install libtoolautoreconf-i./configureFC=ifort CC=iccmake,make check, (make checl |tee results)sudomake installPath :/opt/etsf/lib/  

[Wien] Compilation error with libxc

2016-12-24 Thread Dr. K. C. Bhamu
Dear Users, I compiled Wien2k_16.1 without any error on latest 64 bit Ubuntu OS on Lenovo laptop with ifort+cc (2015). If I install with LIBXC, I am getting below error(compile.msg file is attached here): Compile time errors (if any) were: SRC_lapw0/compile.msg:inputpars.F(6): error #7013: This