Dear Prof Abo, Thank you for your reply. In terms of OpenBLAS-0.3.9 libraries, in my OpenBLAS-0.3.9/lib, there are several files as the below: libopenblas_nehalemp-r0.3.9.a, libopenblas_nehalemp-r0.3.9.so, libopenblas.so, libopenblas.so.0, libopenblas.a. Are they as same as yours? Then during ./siteconfig_lapw, I choose O to set libraries ??R_LIBS(LAPACK+BLAS)??, then how to set the ??Real libraries??? Would you like to tell me how set the ??Real libraries?? parameter so that could obtain the result just like your path for R_LIBS as ??-L/home/username/OpenBLAS-0.3.9 -lopenblas -llapack_lapw ?Clpthread??? In my setting, I did a couple of tries and obtain three kinds of results as below: 1. When I set the R_LIBS such as /home/username/OpenBLAS-0.3.9/lib/libopenblas.so (or libopenblas.so.0, or libopenblas_nehalemp-r0.3.9.so), then the massage is: /usr/bin/ld: warning: libgfortran.so.3, needed by /home-yw/Soft/OpenBLAS-0.3.9/lib/libopenblas.so, may conflict with libgfortran.so.5. 2. When I set the R_LIBS such as /home/username/OpenBLAS-0.3.9/lib or /home/username/OpenBLAS-0.3.9, then the massage is: file not recognized: Is a directory. 3. When I set he R_LIBS such as /home/username/OpenBLAS-0.3.9/lib/ libopenblas_nehalemp-r0.3.9.a (or libopenblas.a), then the error massage is much, including: /home-yw/Soft/OpenBLAS-0.3.9/lib/libopenblas_nehalemp-r0.3.9.a(blas_server.o): In function `goto_set_num_threads': blas_server.c:(.text+0x7f3): undefined reference to `pthread_create'. All above relating files were attached. In addition, are there commands such as lapw0_mpi, lapw1_mpi and lapw1c_mpi generated by installing with gfortran+OpenBLAS, just like by installing with ifort? Looking forward to your reply.
------------------ ???????? ------------------ ??????: "Gavin Abo"<gs...@crimson.ua.edu>; ????????: 2020??6??3??(??????) ????9:13 ??????: "wien"<wien@zeus.theochem.tuwien.ac.at>; ????: Re: [Wien] Wien Installation 1. In a terminal, change into your WIEN2k directory: cd $WIENROOT 2. Run: ./siteconfig 3. Select Compiling Options: O 4. Check your R_LIBS line Your SRC_aim-compile.msg looks like it probably used: /usr/lib64/libpthread.so What works for me for R_LIBS is: -L/home/username/OpenBLAS-0.3.9 -lopenblas -llapack_lapw -lpthread In the above, "/home/username" has to be replaced by the path to your OpenBLAS. The OpenBLAS I'm using is currently version 0.3.9 from: https://www.openblas.net/ On 6/2/2020 4:14 AM, ???? wrote: Dear W2k developers and users, I am installing wien version 19.2 on Linux with gfortran and OpenBlas. There were many warning messages in different compile.msg files of different directories after installing, so I attached some of them. Sincerely yours Yu Chen
Compile messages-20200608.rar
Description: Binary data
_______________________________________________ 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