Initial Setup (flory): Difference between revisions
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= Set Defaults = | == Set Defaults == | ||
Most of the scripts and programs are located in the {{Path|{{HPC-Base-Dir}}}} path and it's sub-directories. For the curious, to see what is currently in {{Path|{{HPC-Base-Dir}}/bin}}, use the {{Code|ls}} command. You should see something like this: | Most of the scripts and programs are located in the {{Path|{{HPC-Base-Dir}}}} path and it's sub-directories. For the curious, to see what is currently in {{Path|{{HPC-Base-Dir}}/bin}}, use the {{Code|ls}} command. You should see something like this: | ||
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{{Cmd|source {{HPC-Base-Dir}}/bin/selector-mpi -o|output=<pre>Set MPI to Open MPI with GNU compiler.</pre>}} | {{Cmd|source {{HPC-Base-Dir}}/bin/selector-mpi -o|output=<pre>Set MPI to Open MPI with GNU compiler.</pre>}} | ||
{{Note|The settings for far affect only the currently running shell and will be lost when logging back in at a later date. To keep the settings for all subsequent logins, you must [[#Make Changes Permanent|make changes permanent]].}} | |||
== Make Changes | == Make Changes Permanent == |
Revision as of 14:30, 14 December 2016
In High-Performance computing (HPC) there are several compiler and message passing systems for users to choose. Selecting a combination of compiler and message passing systems for a particular computational job is an involved process that depends upon the intricacies of the calculation and the specifications of the HPC system. This initial setup tutorial will guide the user in setting up a new account to use the most common combination of compiler and message passing system: GNU Compiler Collection, and Open MPI.
Set Defaults
Most of the scripts and programs are located in the
path and it's sub-directories. For the curious, to see what is currently in
, use the Template:Code command. You should see something like this:
user $
ls {{HPC-Base-Dir}}Parameter unnamed not defined. For correct usage see template's documention./bin
lmp-config pw.x-config selector-compiler selector-mpi
The Template:Code and Template:Code scripts will be used for setting up a new account.
GNU Compiler Collection
To setup the GNU Compiler Collection for the currently running environment:
user $
source {{HPC-Base-Dir}}Parameter unnamed not defined. For correct usage see template's documention./bin/selector-compiler -g
Setup GNU compiler and libraries.
Open MPI
To setup Open MPI that has been compiled with the GNU compiler for the currently running environment:
user $
source {{HPC-Base-Dir}}Parameter unnamed not defined. For correct usage see template's documention./bin/selector-mpi -o
Set MPI to Open MPI with GNU compiler.
The settings for far affect only the currently running shell and will be lost when logging back in at a later date. To keep the settings for all subsequent logins, you must make changes permanent.