[salmon-user:00278] Installation of SALMON

[Ekaterina Migal]

Hello!

I am Ekaterina Migal from Lomonosov MSU. I am trying to install SALMON in my environment. I have a laptop with a single process. I am using Ubuntu-20.04 and following steps described in detail in https://salmon-tddft.jp/webmanual/current/html/install_and_run.html#. I am trying to install SALMON-v.2.2.0 with gfortran (v. 9.4.0), gcc (v. 9.4.0), cmake (v. 3.16.3) and added blas and lapack libraries. Moving step by step, I have the following error after "make" command:

I have also failed to install SALMON using gnu instead of cmake. I had the same error.

Do you have any idea how to fix this problem? Could you, please, comment on which exact version of gfortran is needed for the building process?

Hope for your help!

Sincerely yours,
Ph.D. Ekaterina А. Migal.
E-mail: migal...@list.ru, ea.m...@physics.msu.ru 
Phone: +79175350165 
Physics Department and International Laser Center
M.V. Lomonosov Moscow State University

[Tran Trung Luu]

Dear Ekaterina,

 

From the screenshot, it seems that there is a compatibility problem between your gfortran installation and the cmake.

I would recommend that you use the complete libraries provided by Intel. The following codes work well for me on multiple platforms: Ubuntu and CentOS:

 

+ Reinstall intel oneAPI BaseKit first

                wget https://registrationcenter-download.intel.com/akdlm/irc_nas/18445/l_BaseKit_p_2022.1.1.119.sh

                sudo sh ./l_BaseKit_p_2022.1.1.119.sh

+ Reinstall intel oneAPI HPCKit

                wget https://registrationcenter-download.intel.com/akdlm/irc_nas/18438/l_HPCKit_p_2022.1.1.97.sh

                sudo sh ./l_HPCKit_p_2022.1.1.97.sh

+ Set the environment for intel compilers:

                source /opt/intel/oneapi/setvars.sh intel64

 

It is important that you set the path properly after installing intel oneAPI and HPCKit. After that you can run make and make install.

 

Hope it helps.

 

Best regards,

Trung

 

--

Tran Trung Luu, Ph.D

Assistant Professor

Ultrafast Optics and Attosecond Science, Department of Physics

The University of Hong Kong (HKU)

Room 311A, Chong Yuet Ming Physics Building

Pokfulam road, Hong Kong Island, Hong Kong

Tel: (+852) 3917 2364

Web: https://www.physics.hku.hk/~ttluu/

 

From: Ekaterina Migal <ea.m...@physics.msu.ru>
Sent: Thursday, November 16, 2023 2:24 PM
To: salmo...@salmon-tddft.jp
Subject: [salmon-user:00278] Installation of SALMON

 

Hello!

 

I am Ekaterina Migal from Lomonosov MSU. I am trying to install SALMON in my environment. I have a laptop with a single process. I am using Ubuntu-20.04 and following steps described in detail in https://salmon-tddft.jp/webmanual/current/html/install_and_run.html#. I am trying to install SALMON-v.2.2.0 with gfortran (v. 9.4.0), gcc (v. 9.4.0), cmake (v. 3.16.3) and added blas and lapack libraries. Moving step by step, I have the following error after "make" command:

 

[Ekaterina Migal]

Dear Trung,

I appreciate your help and quick response. Thank you. The build was successful and the code works properly.

Best regards,

Ekaterina.

чт, 16 нояб. 2023 г. в 12:17, Tran Trung Luu <tt...@hku.hk>:

--

С уважением, 
к.ф.-м.н. Екатерина Александровна Мигаль.