[Wien] Wien Installation

[晨晨]

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 –lpthread”?
 
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.




------------------ 原始邮件 ------------------
发件人: "Gavin Abo"<gsabo at crimson.ua.edu>;
发送时间: 2020年6月3日(星期三) 上午9:13
收件人: "wien"<wien at zeus.theochem.tuwien.ac.at>;

主题: 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, 晨晨 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
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