[Wien] About executable version

[Laurence Marks]

While this will probably work, a word of caution. In some recent linux
versions LD_LIBRARY_PATH is not exported when you run a job using the
"at" command, so this may not work in all cases. The "best" solution
is probably to ensure that the ifort/mkl libraries are appropriately
added. Some options:
1) Do it via /etc/ld.so.conf.d (look at man ldconfig)
2) Compile with -static, works fine for the latest ifort
3) Add something like "source
/opt/intel/mkl/10.0.3.020/tools/environment/mklvars32.csh " to your
.cshrc, and in $WIENROOT/parallel_options and similar versions in
.bashrc.

On Thu, Jul 17, 2008 at 4:42 AM, Javad hashemifar <jhashemifar at gmail.com> wrote:
> a possible solution:
> please run the following command in the terminal:
>
> set LD_LIBRARY_PATH=$LD_LIBRARY_PATH:"here write the path where you have
> installed libraries"
>
> and then run
> x lapw2 -qtl
>
> if it works then add the first command to your login shell (.cshrc or
> .bashrc or .tcshrc)
>
> S.J. Hashemifar
>
> On Thu, Jul 17, 2008 at 10:58 AM, Oleg Artamonov <arto at mail.nnz.ru> wrote:
>>
>> Dear Wien2k team leaders,
>>
>> May I ask you to update the executable version of the Wien2k for
>> downloading, especially I need the new QTL version.
>> The reason for this, that I still have problems with Wien2k compilation
>> and
>> work temporary with executable version.
>> I tried to compile QTL separately, but again got the error message:
>> qtl: error while loading shared libraries: libmkl_lapack.so: cannot open
>> shared object file:
>> No such file or directory. I have found the recent discussion about this
>> subject and I shall try to compile.
>>
>> Thank you in advance,
>>                                    Oleg.
>>
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
>
> --
> ======================================
> Seyed Javad Hashemifar, Ph.D.
> current address:
> Physics Department, University of Duisburg-Essen,
> 47057 Duisburg, Germany
> Tel:+49 203 379 4743 Fax:+49 203 379 4742
> permanent address:
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> 84154 Isfahan, Iran
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>



-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Commission on Electron Diffraction of IUCR
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