[Wien] Problem in wien2k17 installation on remote server

[Lawal Mohammed]

Dear Gavin,
I have tried WIEN2k 18.2, but got may be similar issues in lapw0 and lapw2 parallel compilation. This time around the errors in both SRC_lapw0/compile.msg and SRC_lapw2/compile.msg are:
ld: cannot find -lfftw3_mpild: cannot find -lfftw3
Please how to resolve this problem.
Thanks for your time.
Regards
Lawal 

 

    On Thursday, August 23, 2018, 8:18:34 PM GMT+8, Gavin Abo <gsabo at crimson.ua.edu> wrote:  
 
  
In WIEN2k 18.2, I have in siteconfig:
 
   Libraries:
  
      F  FFTW options:             -DFFTW3 -I/home/username/fftw3/include
          FFTW-LIBS:                   -L/home/username/fftw3/lib -lfftw3
          FFTW-PLIBS:                 -lfftw3_mpi
 
 In my SRC_lapw0/compile.msg, I see:
 
 -DFFTW3 -I/home/username/fftw3/include
 
 In the /home/username/fftw3/include directory my system, I have the file fftw3.f03.
 
 In your SRC_lapw0/compile.msg, I see:
 
-I/BIGDATA1/app/intelcompiler/14.0.2/composer_xe_2013_sp1.2.144/mkl/include  -DFFTW3 -I/usr/lib64/include
 
 Maybe the /usr/lib64/include directory does not have file fftw3.f03.  For serial complication, it should be possible to use the operating system fftw3 library installed with package manager.  However, I don't think it provided the fftw3 mpi library file (libfftw_mpi.a) such that parallel compilation would not work with it.  The fftw3 library can be download [ http://www.fftw.org/download.html ] and installed [Refer to "Install the library fftw3" athttp://wien2k-algerien1970.blogspot.com/2016/08/how-to-install-version-2014-of-wien2k.html ].
 
 Also, I cannot remember for sure, but their may have been some siteconfig issues with fftw when parallel compiling in 17.1.  Those problems should however be fixed in WIEN2k 18.2.
 
 On 8/23/2018 1:56 AM, Lawal Mohammed wrote:
  
 
  Thank you very much. 
  Errors in SRC_lapw0/compile.msg and SRC_lapw2/compile.msg are similar:  fft_modules.F(174): error #5102: Cannot open include file 'fftw3.f03' include 'fftw3.f03'
  . .  I attached compile.msg file for checking.  
   It seems similar issue was reported in the list here. 
  [https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09751.html]
  
  
  But, it is for wien2k13.1, should I use the same suggestion for wien2k17.1? And my case is fftw3.f03 not fftw3-mpi.f03  
  Thanks for your time once again.
  
 Kind regards 
 Lawal 
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