[Wien] Compilation problems

[saeid jalali]

I do not think that changing the extension of all the wien2k programs is the best idea: I personally prefer to change the compiler from l_fc_pu_8.1.021 to intel_fc_80 or 8.1 if necessary (I do not know if *_fc and *_fc_pu are different).
 
Did you look into siteconfig_lapw to see if the path of your mkl is correct: this is not needed employing wien2k_05.
 
Some suggestions that you would consider:
1) see FAQ of wien2k
2) use the new version of WIEN2K_05 and specify  "J    Linux (Intel ifort 8.1 compiler + mkl 7.0 )" as your system if you are using intel_fc_80 or newer version.
3) report back to the group if the problem is not fixed.
 
Your,
Saeid.

Gurpreet Singh <gurpreetsingh147 at rediffmail.com> wrote:
Dear Sir,

We have just started using Wien2k_04 at our institute. We had a
fortran 90 compiler already installed on our DEC Alpha machine 
so
we had no problem compiling it there.

However when we tried to compile it on our Linux PCs (Redhat 
9.0)using the INTEL fortran 90 (l_fc_pu_8.1.021) compiler, it 
gives problems
which are as follows:

Fortran programs (trial ones written by us) with .f90 extensions
compile perfectly with the intel compiler, however programs with 
a
.f extension fail to compile giving a message as "missing 
library
libimf.so- unable to open shared object".

When we tried to compile Wien with this fortran compiler, it 
gave
some warnings but no errors.

However when we try to run Wien, it is unable to find lapw1. On
subsequent compilations of Wien , it was unable to complete the
initialization also.

We suspect that this is because fortran is not compiling all the
programmes of Wien because of the .f extension.

The question is if I change all the extensions of the fortran
programmes in the Wien subdirectories to .f90, will it compile
correctly ?

The mkl library installed is mkl72. All directories of Wien are
present in the right place. Perl is installed and running w2web
(somehow it does not ask for the password).

The patch posted on the Wien2k site for Redhat 9.0 compatibility 
with Intel Fortran does not work for us. We still got the same 
error.

Thanking you in anticipation,
regards
Gurpreet Singh
c/o Dr S Ganapathy
NMR Group,
National Chemical Lab
Pune, India

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