Re: [Wien] WIEN2k-3233
28.11.2023 18:30, Safae Benyoussef wrote: I would like to inform you that I am trying to install the code in my account on a supercomputer. I would greatly appreciate your guidance. Dear Safae, Usually if you follow the guidance in the manual it is done without problems. When a problem appear you are to describe it here, in the list, and we will help. Also, ask for help your system administrator which knows exactly features of your computer and which packages are already installed, and how to do if otherwise. Best wishes Lyudmila Dobysheva -- http://ftiudm.ru/content/view/25/103/lang,english/ Institute of Physics and Technology, Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci. 426000 Izhevsk Kirov str. 132 Russia --- Tel. +7 (34I2)43-24-59 (office), +7 (9I2)OI9-795O (home) Skype: lyuka18 (office), lyuka17 (home) E-mail: lyuk...@mail.ru (office), lyuk...@gmail.com (home) ___ 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] WIEN2k-3233
Hello, I would like to inform you that I am trying to install the code in my account on a supercomputer. I would greatly appreciate your guidance. Thank you in advance for your assistance. Cordially, Safae Benyoussef Le mar. 28 nov. 2023 à 12:59, Safae Benyoussef a écrit : > Hello, > > I am writing to seek your assistance in the installation of the code. > > Could you tell me how to install the code in the user account and call the > libraries: ifort, fftw... > > I would greatly appreciate your guidance. > > Thank you in advance for your assistance. > > Cordially, > > Safae Benyoussef > ___ 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] WIEN2k-3233
Hello, I am writing to seek your assistance in the installation of the code. Could you tell me how to install the code in the user account and call the libraries: ifort, fftw... I would greatly appreciate your guidance. Thank you in advance for your assistance. Cordially, Safae Benyoussef ___ 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] Ifort compiler error for wplot for newest one api Version 2024.0
Dear colleagues, I just compiled WIEN2K with the newest Intel one-api Version 2024.0 and got the following compiler error for modules.f in SRC_wplot: ifort -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I/opt/intel/oneapi/mkl/2024.0/include -DHAVE_PTR_ALLOC_GENERICS -Ilib -free -gen-interface nosource -traceback -g -I../SRC_w2w/lib -I../SRC_w2w/lib -c modules.f -olib/modules.o -module lib modules.f(195): error #6911: The syntax of this substring is invalid. [CART] inw%grid%len = (/( sqrt(sum( inw%grid%Cart(:,i)**2 )), i=1,3 )/) -^ compilation aborted for modules.f (code 1) make: *** [Makefile:140: lib/modules.o] Fehler 1 ifort -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I/opt/intel/oneapi/mkl/2024.0/include -DHAVE_PTR_ALLOC_GENERICS -Ilib -free -gen-interface nosource -traceback -g -I../SRC_w2w/lib -I../SRC_w2w/lib -c modules.f -olib/modules.o -module lib modules.f(195): error #6911: The syntax of this substring is invalid. [CART] inw%grid%len = (/( sqrt(sum( inw%grid%Cart(:,i)**2 )), i=1,3 )/) -^ compilation aborted for modules.f (code 1) make: *** [Makefile:140: lib/modules.o] Fehler 1 There are no compiler errors using the 2023.2 Version of one-api. Best regards, Michael Fechtelkord -- Dr. Michael Fechtelkord Institut für Geologie, Mineralogie und Geophysik Ruhr-Universität Bochum Universitätsstr. 150 D-44780 Bochum Phone: +49 (234) 32-24380 Fax: +49 (234) 32-04380 Email: michael.fechtelk...@ruhr-uni-bochum.de Web Page: https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/ ___ 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
