[Wien] Problem in wien2k17 installation on remote server

[Indranil mal]

I have installed fftw in the directory, where I have installed the WIEN2k.
after ./siteconfig_lapw I have made the compiler and all options as
mentioned in the recomended one but when I have tried the compile I got
error and warnings. In the compile.msg file it was written that "




*rm -f  *.ocleanifort -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
-traceback -assume buffered_io -I/include -c fminenefitCOA.f   make: ifort:
Command not foundMakefile:46: recipe for target 'fminenefitCOA.o' failed*
*make: *** [fminenefitCOA.o] Error 127*"

please help me.

On Sat, Aug 25, 2018 at 7:15 PM Gavin Abo <gsabo at crimson.ua.edu> wrote:

> Where did you install the fftw3 libraries?
>
> Since mpi calculations need a cluster, sometimes the fftw3 libraries (and
> other WIEN2k dependencies) were already installed by the cluster admin
> (helpdesk) or a request was sent for fftw3 libraries to the helpdesk for
> the cluster and the IT department installed it.  Then, the location to the
> fftw3 library files that was provided by the helpdesk was used.
>
> If you happen to need to install fftw3 yourself, the [1] uses the --prefix
> in the ./configure command to tell it to install in /opt/fftw3.  Others
> prefer to use a different install location such as in [2].
>
> I, however, use
>
> --prefix=/home/username/fftw3/
>
> so that it matches my fftw3 siteconfig settings seen in my previous post
> below (where username I usually have to replace with the user name used
> to login to the cluster).
>
> Though, alternatively, you can change the siteconfig fftw3 settings to
> match the --prefix location that you used.
>
> Also, check the location where the fftw3 library files are installed.  Do
> the fftw3 library files (libfftw3.a and libfftw3_mpi.a corresponding to
> -lfftw3 and -lfftw3_mpi, respectively) exist and have non-zero file sizes?
> If not, fftw3 might not have compiled without errors.
>
> For example, libfftw3.a exists with a file size of 1619484 and
> libfftw3_mpi.a has a file size of 157960 on one of my computers (note:
> those file sizes may be different on your cluster):
>
> username at computername:~/Desktop$ ls -l /home/username/fftw3/lib
> total 1752
> -rw-r--r-- 1 username username 1619484 Aug 25 06:58 libfftw3.a
> -rwxr-xr-x 1 username username     893 Aug 25 06:58 libfftw3.la
> -rw-r--r-- 1 username username  157960 Aug 25 06:58 libfftw3_mpi.a
> -rwxr-xr-x 1 username username     939 Aug 25 06:58 libfftw3_mpi.la
> drwxrwxr-x 2 username username    4096 Aug 25 06:58 pkgconfig
>
> [1]
> http://wien2k-algerien1970.blogspot.com/2016/08/how-to-install-version-2014-of-wien2k.html
>
> [2]
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03405.html
> On 8/25/2018 1:34 AM, Lawal Mohammed wrote:
>
> 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_mpi
> ld: 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> <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" at
> http://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.
>
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