[Wien] trying to install WIEN2k on Ubuntu 12.04 64-bit

[Long Zhang]

I am installing MPICH2 manually now, it appears another error. I did

lzhang200 at lzhang200:~/mpich2-1.5$ which ifort
/opt/intel/composer_xe_2013.2.146/bin/intel64/ifort
lzhang200 at lzhang200:~/mpich2-1.5$
lzhang200 at lzhang200:~/mpich2-1.5$ export FC=ifort
lzhang200 at lzhang200:~/mpich2-1.5$ export F77=ifort
lzhang200 at lzhang200:~/mpich2-1.5$
lzhang200 at lzhang200:~/mpich2-1.5$ ./configure --prefix=/opt/mpich2_1.5

But it says

....
checking for ifort... no
....
configure: error: No Fortran 77 compiler found.

Why it does not use ifort as Fortran 77 compiler ?
I guess I missed some basic practice after installing Intel ifort, or it's
not installed properly at all ... but it went through smoothly I didn't see
any error.

Thank you.

Long

On Fri, Feb 22, 2013 at 1:26 AM, Gavin Abo <gsabo at crimson.ua.edu> wrote:

>  MPICH2 via Ubuntu Software Center is probably compiled with gfortran
>
> The following command in a terminal might tell you what compiler was usedto make
> MPICH2:
>
> mpif90 -v
>
> Most likely you should get a source package from:
>
> http://www.mpich.org/downloads/
>
> Then, compile it with ifort (./configure, make, and make install).
>
> FFTW3 via Ubuntu Software Center can work for serial, but the development package
> may not have the libfftw3_mpi.a package needed for mpi.
>
> Most likely you should get and compile the source package from:
>
> http://www.fftw.org/download.html
>
> On 2/21/2013 10:20 PM, Long Zhang wrote:
>
>
> Hello,
>
> I am trying to install the current version 12.1 on Ubuntu 12.04 (64-bit).
> I met some problem related to mpi, can someone please give me some hint?Thanks in advance.
>
> The situation is like this, on a freshly installed Ubuntu 12.04 64bit, I
> installed current version Intel Fortran Composer XE 2013.2.146, and
> installed MPICH2 and FFTW3 via Ubuntu Software Center.
>
> Before run the siteconfig_lapw, I checked
> which ifort
> /opt/intel/composer_xe_2013.2.146/bin/intel64/ifort
> which mpif90
> /usr/bin/mpif90
>
> and did the following 3 lines in the terminal
> source /opt/intel/composer_xe_2013.2.146/bin/compilervars.sh intel64
> export
> LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64
> export MKLROOT=/opt/intel/composer_xe_2013.2.146/mkl/
>
> Then I run the siteconfig_lapw, and selected system as "ifort12+mkl" (the
> first one), selected compilers as "ifort" and "cc", selected "finegrained
> parallel" and "mpif90", and got error message like this:
>
> ----------------------------------------------- cut1
> -----------------------------------------------
> Compile time errors (if any) were:
> SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1
> SRC_hf/compile.msg:make: *** [rp] Error 2
> SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1
> SRC_hf/compile.msg:make: *** [cp] Error 2
> SRC_lapw0/compile.msg:make[1]: *** [modules.o] Error 1
> SRC_lapw0/compile.msg:make: *** [para] Error 2
> SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1
> SRC_lapw1/compile.msg:make: *** [rp] Error 2
> SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1
> SRC_lapw1/compile.msg:make: *** [cp] Error 2
> SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1
> SRC_lapw2/compile.msg:make: *** [rp] Error 2
> SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1
> SRC_lapw2/compile.msg:make: *** [cp] Error 2
> ----------------------------------------------- cut1
> -----------------------------------------------
>
> I looked into SRC_lapw1/compile.msg, and the detailed error is:
>
> ----------------------------------------------- cut2
> -----------------------------------------------
> mpif90 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DFFTW3 -traceback
> -DParallel -c modules_tmp_.F
> --------------------------------------------------------------------------
> The Open MPI wrapper compiler was unable to find the specified compiler
> gfortran in your PATH.
>
> Note that this compiler was either specified at configure time or in
> one of several possible environment variables.
> --------------------------------------------------------------------------
> make[1]: *** [modules.o] Error 1
> make[1]: Leaving directory `/home/lzhang200/wien2k/SRC_lapw1'
> make: *** [rp] Error 2
> ----------------------------------------------- cut2
> -----------------------------------------------
>
> It seems OpenMPI was invoked and it looked for gfortran. I don't have
> gfortran installed at all, but I found I have openmpi installed. I then used
> Ubuntu Software Center to search openmpi and uninstalled related
> packages. I restarted the system and repeated the siteconfig_lapw.
> However I still get error message, not same but similar, it still looks
> for gfortran, for example the SRC_lapw1/compile.msg shows:
>
> ----------------------------------------------- cut3
> -----------------------------------------------
> mpif90 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -DFFTW3 -traceback
> -DParallel -c modules_tmp_.F
> /usr/bin/mpif90: line 370: gfortran: command not found
> make[1]: *** [modules.o] Error 127
> make[1]: Leaving directory `/home/lzhang200/wien2k/SRC_lapw1'
> make: *** [rp] Error 2
> ----------------------------------------------- cut3
> -----------------------------------------------
>
> I did not specify to use gfortran anywhere in the setup of
> siteconfig_lapw, I don't see why mpif90 keeps looking for it. How can I fix
> this problem? Thanks a lot.
>
> Regards,
> Long Zhang
>
>
>
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