CASINO manual - Theory of Condensed Matter
CASINO manual - Theory of Condensed Matter
CASINO manual - Theory of Condensed Matter
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inary executable. <strong>CASINO</strong> does not require such<br />
arguments, but other codes which make use <strong>of</strong> the<br />
<strong>CASINO</strong> architecture system do (e.g., to run PWSCF, one<br />
might write ’pw.x -pw2casino -npool 4 < in.pwscf >><br />
out.pwscf’) where everything after the pw.x counts as<br />
a command line argument.<br />
II.2.iii. Environment variables<br />
===============================<br />
&ENV.& will expand to the value <strong>of</strong> environment variable <br />
(under the directory under which the runscript is invoked, so be careful with<br />
the usage <strong>of</strong>, e.g., ENV.PWD, etc).<br />
Example:<br />
#PBS -M &ENV.USER&<br />
II.2.iv. Internal variables<br />
===========================<br />
These are only available to run-time tags.<br />
Internal variables are defined and set within the .arch file. Its value<br />
is defined via the runtime tag INTERNAL., and &INTERNAL.&<br />
is the variable which expands to its value. These are useful for defining<br />
<strong>of</strong>ten-used intermediate values from a single block <strong>of</strong> code.<br />
See example in section II.4.<br />
II.2.v. User variables<br />
======================<br />
These are only available to run-time tags.<br />
User variables are custom variables which can be set from the command line,<br />
or take their values from the defaults defined in the .arch file:<br />
- The tag USER.DESCRIPTION. gives a description <strong>of</strong> the purpose <strong>of</strong><br />
this variable which is displayed to the user when --help is requested.<br />
- The tag USER.DEFAULT. defines the default value <strong>of</strong> the variable.<br />
- The tag USER.ALLOWED. defines a set <strong>of</strong> blank-separated allowed<br />
values that the variable can take -- if USER.DEFAULT. is not<br />
specified, the first value in this list becomes the default value.<br />
- The tag USER.MIN. defines the minimum value that integer variable<br />
can take.<br />
- The tag USER.MAX. defines the maximum value that integer variable<br />
can take.<br />
- The variable &USER.& expands to the value <strong>of</strong> variable.<br />
II.3. Makefile section<br />
======================<br />
There are many variables that can be defined in the .arch files to modify<br />
the build process, although only a few <strong>of</strong> them are absolutely necessary to<br />
get <strong>CASINO</strong> to compile.<br />
* Required variables:<br />
- TYPE : omit or set to ’single’ for single-processor machines, set to<br />
’parallel’ for multi-processor workstations and set to<br />
’cluster’ for clusters with batch-queueing systems<br />
- F90 : name <strong>of</strong> the Fortran compiler binary<br />
- CC : name <strong>of</strong> the C compiler binary<br />
- NEED_ETIME: omit or set to ’no’ if the Fortran compiler supports the ETIME<br />
extension, set to ’yes’ otherwise<br />
* Recommended variables:<br />
- CXX : name <strong>of</strong> the C++ compiler binary (used by a single converter<br />
utility at present, which will be skipped from compilation<br />
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