vn.physics.ubc.ca PIII/Linux Cluster Other Software

vn.physics.ubc.ca: PIII/Linux Cluster
Other Installed Software

Unless specified all software has been compiled and installed from source using the GNU compilers

FFTW (Version 3.0.1)
- gcc-compiled version installed in /usr/local/lib/libfftw3.a
- PGI-compiled version installed in /usr/local/PGI/lib/libfftw3.a
NCAR Graphics
- Online documentation.
- See /usr/local/lib/ncarg/examples for examples.
NWChem (binaries only)
- Postscript documentation: Users's Guide Pages 1-200 and Pages 201-
- To use, ensure that these environment variables are set as follows:
```
   setenv NWCHEM_EXECUTABLE     /usr/local/nwchem/bin/nwchem
   setenv PARALLEL_PATH         /usr/local/nwchem/bin/parallel
   setenv NWCHEM_BASIS_LIBRARY  /usr/local/nwchem/lib/library
```
  You may also want to add /usr/local/nwchem/bin to your path.
- The NWChem distribution is installed in /usr/local/nwchem on each node. See that directory for quality assurance tests (in /usr/local/nwchem/QA) and other information.
E-cell (on vnfe1 only). Installed in /usr/bin, /usr/{doc,share,lib}/ecell
PAML. Installed in /usr/local/paml/bin
Choptuik's standard Fortran utilities: (vs, fvs, svs, vutil, utilmath, utilio). Installed in /usr/local/{bin,lib}

Maintained by choptuik@physics.ubc.ca. Supported by CIAR, CFI, NSERC and NSF.