Re: [Wien] Berrypi Error

2023-11-17 Thread Rubel, Oleg
I reproduced the error on my end with Python 3.10. The GitHub version is updated to fix the error as Sharbano suggested and tested. To update your version please run those commands irrespective of the WIEN2k version: cd $WIENROOT/SRC_BerryPI/BerryPI git pull This will update BerryPI to the most

Re: [Wien] WIENncm installation error

2023-11-17 Thread Safikul Islam
Dear Professor Peter Blaha, The compilation is successful. I will try to recalculate for the given examples. I want to thank you so much for your kindness and your great assistance. Kind Regards, Safikul Islam On Fri, Nov 17, 2023 at 10:31 PM Safikul Islam < safikul.physics1...@gmail.com> wr

Re: [Wien] WIENncm installation error

2023-11-17 Thread Peter Blaha
do ll cputim.* you should find a couple of cputim* routines. Nowadays, we use only cputim.c in wien2k, which has to be compiled using cc, gcc or icc compilers. I remember that previously we had a couple of different cputim routines ... Am 17.11.2023 um 18:01 schrieb Safikul Islam: Dear  Pro

Re: [Wien] Berrypi Error

2023-11-17 Thread Rubel, Oleg
Dear Sharbano, Many thanks for sharing the fix. I will take a closer look in the next couple of days. Best regards Oleg > -Original Message- > From: Wien On Behalf Of > shahrbano rahimi > Sent: Friday, November 17, 2023 11:17 AM > To: A Mailing list for WIEN2k users > Subject: [Wien]

Re: [Wien] WIENncm installation error

2023-11-17 Thread Safikul Islam
Dear Professor Peter Blaha, I followed your suggestion. I have adopted all the libraries and Makefiles from the WIEN2k installation directory. Now the errors have been reduced. Only one error is coming. ..

[Wien] Berrypi Error

2023-11-17 Thread shahrbano rahimi
Dear Prof. Peter Blaha and Prof. Oleg Rubel, hope this email finds you in good health and spirits. I am reaching out to respectfully report a technical challenge we recently encountered in our Wien2k calculations using BerrypI, and to share the solution we found in hopes that it might be helpful.

Re: [Wien] WIENncm installation error

2023-11-17 Thread Peter Blaha
Hi, Please note: For wienncm and wienbse wie do NOT provide full support. This was clearly stated on the website. In particular, these codes require some knowledge of Linux as the installation is not so automatic as in WIEN2k and in particular, there are no updates, so the user has to adapt the

Re: [Wien] WIENncm installation error

2023-11-17 Thread Safikul Islam
Dear Professor Peter Blaha, You are right. The path of ifortran compiler was not adjusted properly in the bashrc file. After giving the proper path of ifortran compiler I am getting the following errors during compilation of the WIENncm software. I have pasted the error of the compile.msg file of

Re: [Wien] Problem in All compilation

2023-11-17 Thread Peter Blaha
You have error in almost all programs, also in thos which do not use fftw. You need to look directly into compile.msg to get more info about your problem. Am 16.11.2023 um 02:52 schrieb Shahid Mahmood Chaudhry via Wien: Dear Sir Where is the problem and how to solve it Ubuntu 23.1 Wien2k

Re: [Wien] WIENncm installation error

2023-11-17 Thread Peter Blaha
Betreff: WIENncm installation error Von: Safikul Islam I am trying to install WIENncm using ifortran compiler version 18.0.0. But I am getting many errors. The error has been attached with this mail. I have looked into the previous messages regarding the installation of WIENncm. It has be