[Wien] problem in wien2k installation

[Gavin Abo]

When you do in a terminal:

ldd $WIENROOT/lapw0

With the error, it is expected to return a list with:

libmkl_intel_lp64.so => not found

This would be unusual, since the LD_LIBRARY_PATH is set and the 
libmkl_intel_lp64.so exists as you previously reported.

What I can suggest is to try the following in a terminal.

cd /etc/ld.so.conf.d

Create your own conf file (such as wien2k.conf) in that directory 
containing the mkl library path 
(/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64) with your 
preferred text editor.

For example:
--------------------------
sudo vi wien2k.conf  (run 'vi' text editor in terminal)
i (press key to insert text)
/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64 (type text in file 
wien2k.conf)
ESC (press key to return to command mode)
:wq (type vi command for save and quit)
Enter (press key)
-------------------------

Load the conf file:

sudo ldconfig

Then, check if the error is gone and "ldd $WIENROOT/lapw0" should return 
in the list

libmkl_intel_lp64.so => 
/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_intel_lp64.so

If this removes the error, it is likely due to the #366728 
LD_LIBRARY_PATH bug mentioned in the Ubuntu Wiki:

https://help.ubuntu.com/community/EnvironmentVariables

On 5/23/2012 12:29 PM, Laurence Marks wrote:
> Also "ldd $WIENROOT/lapw1" is sometimes useful, particularly on remote
> nodes. (Do "man ldd" for more information.)
>
> On Wed, May 23, 2012 at 12:12 PM, Peter Blaha
> <pblaha at theochem.tuwien.ac.at>  wrote:
>>> I think the problem is not in w2web. Because I got the same error message while running in terminal also.
>>> [root at localhost TiC]$ run_lapw -cc 0.0001 -NI
>>> /home/james/wien2k/lapw0: error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory
>>>   >  stop error
>>> Would you please tell me the necessary files that are required for wien2k to run properly. Is it a problem in glibc?
>> It is rather obvious which library you need: libmkl_intel_lp64.so
>>
>> This file should be in a directory which you have in your LD_LIBRARY_PATH
>>
>> Is it there ???    Is the library path set ???    (echo $LD_LIBRARY_PATH)
>> do a ls -als of all directories in this variable.
>>
>> Alternatively, recompile WIen2k (siteconfig) with a linker-option  -static-intel
>> It should the statically link the necessary libraries.
>>
>> --
>> -----------------------------------------
>> Peter Blaha
>> Inst. Materials Chemistry, TU Vienna
>> Getreidemarkt 9, A-1060 Vienna, Austria
>> Tel: +43-1-5880115671
>> Fax: +43-1-5880115698
>> email: pblaha at theochem.tuwien.ac.at
>> -----------------------------------------
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>

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