To add to Abraime's explanation, if you use the free -m command, if you check the -/+ buffers/cache line you can see how much is really free.

-Michael Sluydts

Luis Ogando schreef op 24/06/2014 13:33:
Hi Abraime,

If you are using something like "top" command in a terminal, do not worry about the "Mem: " row. You have to look ate the "%MEM" column.
   All the best,
                    Luis


2014-06-23 13:03 GMT-03:00 Brahim ABRAIME <b.abra...@gmail.com <mailto:b.abra...@gmail.com>>:

    The memory RAM in use of the machines does not decrease when we
    kill the processes of Wien2k on the CPU
    Ans suggestions please ?

    Le 17 juin 2014 22:10, "Gavin Abo" <gs...@crimson.ua.edu
    <mailto:gs...@crimson.ua.edu>> a écrit :


        what about the environment in which we must mention the list
        of machines that will run parallel computing?

        If you are using a single PC, you should be able to use "edit
        .machines" in the menu of w2web.  See section "5.5.4 The
        .machines file" in the Wien2k 13.1 usersguide
        [http://www.wien2k.at/reg_user/textbooks/usersguide.pdf],
        which describes the content of the .machines file.

        I also find the University of Texas slides at the following
        link useful:

        https://www.xsede.org/documents/10157/305826/ecss_hliu_051012.pdf

        If you are using a cluster, you should talk to your system
        administer(s), because they should know everything about your
        cluster system and should be able to help you create the best
        configuration for your system (something we know nothing about
        it).  There is a webpage in FAQ on the Wien2k website that can
        help with that:

        http://www.wien2k.at/reg_user/faq/pbs.html

        I also want to know the parameters for multi threading

I think there was some previous discussion on threading. Search the mail archive at:

        http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/

        For example, try searching with the keyword: OMP_NUM_THREADS



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