[Wien] Multicore on i7 iMac

[Laurence Marks]

You may also be able to turn off USE_REMOTE and MPI_REMOTE (set both
to 0) and/or use something other than ssh to launch processes.

On Mon, Apr 15, 2013 at 8:33 AM, Peter Blaha
<pblaha at theochem.tuwien.ac.at> wrote:
> Try it again. I think it ask this disturbing question only once !
>
> otherwise:   you must be able to do:
>
> ssh localhost
>
> and login without any other response.
>
>> The authenticity of host 'localhost (::1)' can't be established.
>> RSA key fingerprint is 50:c3:da:fa:0c:35:c5:aa:d1:b4:c1:52:a1:18:08:c2.
>> Are you sure you want to continue connecting (yes/no)? yes
>>
>> ^C
>>
>>
>>
>>
>>
>> -------- Original Message --------
>> Subject:      Re: [Wien] Multicore on i7 iMac
>> Date:         Mon, 15 Apr 2013 08:16:11 +0200
>> From:         Peter Blaha <pblaha at theochem.tuwien.ac.at>
>> Reply-To:     A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>> To:   A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>>
>> As you could see from your "top" command, only 1 core is used.
>>
>> The "simplest" thing is to set:
>>
>> export OMP_NUM_THREADS=2 (or 4)    (a commented line is already in your
>> .bashrc after  "userconfig_lapw")
>>
>> This will use 2 (4) cores for parts of WIEN2k which uses the mkl-library.
>> ---------------------------
>> Next is k-parallel mode   (see UG for description), where you can use all
>> your cores.
>>
>> We also have mpi-parallel, but I would not recommend it for a single mac,
>> unless you have a problem with just one k-point.
>>
>> Please also notice the recent posting on the mailing-list about a
>> recommended compiler option for a Mac (-heap-arrays), otherwise you cannot
>> run wien2k on larger systems
>>
>> Peter Blaha
>>
>>
>>
>> From:pluto at physics.ucdavis.edu
>> Date:04/14/2013 07:48 PM
>> To:"A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
>>
>> Hello WIEN2k experts,
>>
>> I have a very simple question.
>>
>> Do I need to edit the .machines file for the multicore operation of the
>> Intel i7 Quad Core CPU?
>>
>> My IT department (in FZ Juelich, Germany) has helped to compile Wien2k on
>> an iMac with i7 CPU. It works very nice, no problem to calculate 15 layer
>> slab. However, I have a feeling, that all is done on a single core, and
>> this is a real waste to time. I attach the screenshot of "top" program
>> under the terminal, with lapw1c doing 100 k-points for band structure.
>>
>> Regards,
>> Lukasz
>>
>>
>>
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>>
>>
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>
> --
>
>                                        P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WWW:
> http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi