Manual machinefile script example: Difference between revisions

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== The environment setup ==
== The environment setup ==
Because the TORQUE queue at the CNB-CSIC requires a maximum wall-clock-time, one needs to define the XXXextra1XXX variable. In their environment (.cshrc) one includes:
The cluster at Columbia does not use any queue. Multiple jobs get nodes assigned by manual editing of an MPI machinefile. The location of this machinefile may be accessible from the GUI through the use of the XXXextra1XXX variable. In their environment (.cshrc) one includes:
<code>
 
  setenv RELION_QSUB_TEMPLATE "/home/hstau/relion-0.9/bin/qsub.csh"
  setenv RELION_QSUB_TEMPLATE "/home/hstau/relion-0.9/bin/qsub.csh"
  setenv RELION_QSUB_EXTRA1 "MPI machinefile"
  setenv RELION_QSUB_EXTRA1 "MPI machinefile"
  setenv RELION_QSUB_EXTRA1_DEFAULT  "/home/hstau/machinefile.dat"
  setenv RELION_QSUB_EXTRA1_DEFAULT  "/home/hstau/machinefile.dat"
</code>


The command used for job submission (to be given in the GUI) is <code>qsub</code>.
 
Note that the (perhaps unusual) command used for job submission (to be given in the GUI) is <code>csh</code>.


== The template script ==
== The template script ==
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The following script is saved as /home/hstau/relion-0.9/bin/qsub.csh:
The following script is saved as /home/hstau/relion-0.9/bin/qsub.csh:


<code>
 
  #!/usr/bin/env csh
  #!/usr/bin/env csh
  #
  #
  mpirun -n XXXmpinodesXXX -machinefile XXXextra1XXX  XXXcommandXXX
  mpirun -n XXXmpinodesXXX -machinefile XXXextra1XXX  XXXcommandXXX
</code>

Latest revision as of 13:23, 13 November 2017

The environment setup

The cluster at Columbia does not use any queue. Multiple jobs get nodes assigned by manual editing of an MPI machinefile. The location of this machinefile may be accessible from the GUI through the use of the XXXextra1XXX variable. In their environment (.cshrc) one includes:

setenv RELION_QSUB_TEMPLATE "/home/hstau/relion-0.9/bin/qsub.csh"
setenv RELION_QSUB_EXTRA1 "MPI machinefile"
setenv RELION_QSUB_EXTRA1_DEFAULT  "/home/hstau/machinefile.dat"


Note that the (perhaps unusual) command used for job submission (to be given in the GUI) is csh.

The template script

The following script is saved as /home/hstau/relion-0.9/bin/qsub.csh:


#!/usr/bin/env csh
#
mpirun -n XXXmpinodesXXX -machinefile XXXextra1XXX  XXXcommandXXX