Re: [Wien] Parallel compilation installation
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 ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at mailto:Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at mailto:Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Parallel compilation installation
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 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 ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] Parallel compilation installation
Dear Wien users, Could you help me on the parallel installation of Wien on station but in condition of the use of the full power of the station Thank you -- *Cordialement*** *B.ABRAIME* *Master Physique Informatique* *LMPHE* *Faculté des sciences Rabat-Agdal* *Université Mohamed V-Agdal*** ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Parallel compilation installation
you need to open the connection without password; man ssh-keygen -N -t dsa this creates in the directory ~/.ssh the id_dsa and id_dsa.pub now copy id_dsa.pub at the end of authorized_keys and the permisions of the files in '.ssh' should be 700, that is: chmod 700 * that is, only the user has permission for everything and the group or the world cannot modify, see or execute the files in the '.ssh' directory next time that you reenter your account ssh me@localhost it will not ask for password De: wien-boun...@zeus.theochem.tuwien.ac.at wien-boun...@zeus.theochem.tuwien.ac.at en nombre de Brahim ABRAIME b.abra...@gmail.com Enviado: martes, 17 de junio de 2014 11:10 a.m. Para: A Mailing list for WIEN2k users Asunto: [Wien] Parallel compilation installation Dear Wien users, Could you help me on the parallel installation of Wien on station but in condition of the use of the full power of the station Thank you -- Cordialement ** B.ABRAIME Master Physique Informatique LMPHE Faculté des sciences Rabat-Agdal Université Mohamed V-Agdal ** ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Parallel compilation installation
you need to open the connection without password; ssh-keygen -N -t dsa *** not; man ssh-keygen -N -t dsa *** this creates in the directory ~/.ssh the id_dsa and id_dsa.pub now copy id_dsa.pub at the end of authorized_keys and the permisions of the files in '.ssh' should be 700, that is: chmod 700 * that is, only the user has permission for everything and the group or the world cannot modify, see or execute the files in the '.ssh' directory next time that you reenter your account ssh me@localhost it will not ask for password De: wien-boun...@zeus.theochem.tuwien.ac.at wien-boun...@zeus.theochem.tuwien.ac.at en nombre de Brahim ABRAIME b.abra...@gmail.com Enviado: martes, 17 de junio de 2014 11:10 a.m. Para: A Mailing list for WIEN2k users Asunto: [Wien] Parallel compilation installation Dear Wien users, Could you help me on the parallel installation of Wien on station but in condition of the use of the full power of the station Thank you -- Cordialement ** B.ABRAIME Master Physique Informatique LMPHE Faculté des sciences Rabat-Agdal Université Mohamed V-Agdal ** ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] Parallel compilation installation
Now that the Mexico and Brazil game ended I can continue... You need to open the connection without password; ssh-keygen -N -t dsa this creates in the directory ~/.ssh also the id_dsa id_dsa.pub files now copy id_dsa.pub at the end of authorized_keys and the permisions of the files in '.ssh' should be 700, that is: chmod 700 * that is, only the user has permission for everything and the group or the world cannot modify, see or execute the files in the '.ssh' directory next time that you reenter your account ssh me@localhost it will not ask for password Now, if you want to work in another machine then copy the id_dsa.pub into the authorized_keys of the other machine. ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Parallel compilation installation
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 ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
