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
-
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