[Wien] Parallel compilation installation

Luis Ogando lcodacal at gmail.com
Tue Jun 24 13:33:52 CEST 2014


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.abraime at 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" <gsabo at 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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>>
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