About mkl library
 

I had downloaded l_fcompxe2013.1.117 and installed it too.While connecting to quantum chemistry software it doesnt show mkl library within it.You dont need mkl software provided you have intel fortran composer,do you?
How can I uninstall it? so that I could install again.How do you ensure whether it is installed properly or not?The question is long but Iam desparate to learn.

I'd guess you will have to include MKL in the LD_LIBRARY_PATH, to use <quantum>.

Example :

If you have a surplus mkl-library in another location than the ifort compiler,
it should be possible to uninstall it. "l_mkl_**/install.txt :
".. Run <MKL-install-dir>/uninstall.sh ."

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thanks
 

Thanks for reply.I mean to ask should I download and install mkl library or the composer I mentioned comprises it. I tried to download separately the mkl library but it valids for a month then I need to buy which is impossible from my place Nepal.

# 3 .

Please have a look at your install : You will find that mkl is already installed
as part of the ifort compiler. No need for a separate install, I think.

Which "quantum" software is it about ? ?

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It is Gamess US.If you are aware of that software I had problem in ./lked step.
Thanks for the information.Then the mkl seems not be working.There is a sub directory mkl within it.While giving the path in terminal /opt/intel/composer_xe_2013.1.117/mkl. It displays the message 'but this does not seem to exist on your system'.How to solve this.
Thanks for your interest.Hoping to get help in future as well.

# 5 .
? Did you point to the MKL libraries ?

export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/composer_xe_2013.1.117/mkl/lib/* && ./lked
I.e. /opt/intel/composer_xe_2013.1.117/mkl/lib/*/ is a folder with the 41 libmkl** files.

Be aware that the export command is temporary, will reset to
/usr/lib:/lib:/usr/local/lib etc. when you exit the terminal.


Ref. #5
Probably wrong. I have XE_2011, and I don't think they change that much in XE_2013.
So it should be "/opt/intel/composer_xe_2013.1.117/mkl/lib/ia32"
Or "/opt/intel/mkl/lib/ia32" ( If you have a 32bits (i686) OS.)

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Again problem
 

I think the intel compiler is not installed properly.How do you know whether it is installed well or not? please tell me how can I uninstall and install again.The solution didnt work. I tried $ which ifort. It displayed nothing. Does it mean it is not installed but when I try to install it says that I have already installed.

# 7 .
Only an executable that is in your PATH will be shown.

Which version of gamess did you download ?
http://www.msg.ameslab.gov/gamess/download.html > > >
GAMESS version May 1, 2012 R2 for 32 bit (x86 compatible) ... Linux
GAMESS version May 1, 2012 R2 for 64 bit (x86_64 compatible)Linux with gnu compilers
GAMESS version May 1, 2012 R2 for 64 bit IA64/x86_64 Linux with Intel compilers

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The first one.As my linux system is 32 bit.I had to use 32 bit gamess.I have sent you some photos of path of mkl so that I think you can suggest me.For gamess,it was configured,successfully completed ddi and compddi.But when I tried linking error appeared.