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informatica:hp_z400_macromodel_macromodel [2012/06/15 18:12]
miquel [Gestor de cues]
informatica:hp_z400_macromodel_macromodel [2012/07/26 16:23]
miquel [Debian for chemists]
Line 727: Line 727:
  
 <file> <file>
-root@cie-48-184:/home/sermnadmin/Downloads/Schrodinger_Suite2012_Linux-x86_64_NonCommercial# /opt/schrodinger/run installation_check.pl +# /opt/schrodinger/run installation_check.pl 
 ------------------------------------------------------------------------ ------------------------------------------------------------------------
                 Schrodinger installation check (rev 1.31)                 Schrodinger installation check (rev 1.31)
Line 763: Line 763:
 following file: following file:
 ... ...
 +</file>
 +
 +<file>
 +# /opt/schrodinger/run installation_check.pl -test localhost
 +------------------------------------------------------------------------
 +                Schrodinger installation check (rev 1.31)
 +------------------------------------------------------------------------
 +
 +Test files will be written in directory instcheck-cie-48-184-4fdb5f04/.
 +
 +Hosts file: /opt/schrodinger/schrodinger.hosts
 +
 +There is only 1 host entry in this file.
 +* There are NO host entries for running immediate jobs on remote machines.
 +* There are NO host entries for submitting batch jobs.
 +
 +1 test job will be launched.
 +
 +Progress will be logged in instcheck-cie-48-184-4fdb5f04/inst_check.log
 +
 +This may take 15 minutes or more - please be patient.
 +A summary of the results will be given when all jobs are done.
 +
 +------------------------------------------------------------------------------------------
 +                          Schrodinger Installation Check (rev 1.31)
 +------------------------------------------------------------------------------------------
 +
 +Hosts file: /opt/schrodinger/schrodinger.hosts
 +
 +------------------ -------------------- -------  -----------------------------------------
 +Hosts Entry        Check                Result   Notes
 +------------------ -------------------- -------  -----------------------------------------
 +localhost          testapp              * OK *   
 +------------------------------------------------------------------------------------------
 +
 +This table can also be found in the file instcheck-cie-48-184-4fdb5f04.summary .
 +See that file for additional comments on any issues identified above.
 +
 +The output files and other results of these tests have been archived in the
 +following file:
 +
 +Archive: instcheck-cie-48-184-4fdb5f04.tarball
 +
 +If you need help understanding any of these results, please send 
 +this file to help@schrodinger.com, along with your questions. 
 +
 +
 +Done.
 </file> </file>
  
Line 796: Line 844:
     * ...     * ...
  
 +===== Running Maestro =====
 +
 +Després d'un primer missatge d'error, la consulta al [[http://www.schrodinger.com/kb | Schrodinger Knowledge Base]] m'indica que el gestor de llicències no està funcionant. El poso en marxa,
 +<code>
 +sermn-uab@cie-48-184:~$  $SCHRODINGER/licadmin START -c $SCHRODINGER/license -l lmgrd.`hostname`.log 
 +License file: /opt/schrodinger/license (commandline)
 +Log file: lmgrd.cie-48-184.log
 +sermn-uab@cie-48-184:~$ ps ax | grep lice
 + 4780 pts/0    S      0:00 /opt/schrodinger/mmshare-v21023/bin/Linux-x86_64/lmgrd -c /opt/schrodinger/license -l +lmgrd.cie-48-184.log
 + 4781 ?        Ssl    0:00 SCHROD -T cie-48-184 11.10 3 -c /opt/schrodinger/license -daemon_port cf08 --lmgrd_start 50114c33
 + 4785 pts/0    S+     0:00 grep lice
 +</code>
 +i provo a executar el programa //Maestro//
 +<code>
 +sermn-uab@cie-48-184:~$ $SCHRODINGER/maestro &
 +</code>
 +i s'obren les primeres finestres del programa,
 +{{:informatica:programari:macromodel:maestro-screenshot-1.png?400 | Schrodinger Maestro opens!}}
 +
 +<note important>
 +Caldrà comprovar perquè el gestor de llicències no s'ha posat en marxa automàticament. Per ara, sembla ser que no hi ha cap //script// a ///etc/init.d// que s'encarregui de posar-lo en marxa en reiniciar l'ordinador.
 +</note>
  
 +Per començar trio el perfil per defecte: //Maestro// i finalment s'obre la finestra principal del programa.
  
  
  
informatica/hp_z400_macromodel_macromodel.txt · Last modified: 2020/07/09 12:22 by miquel