Saturday, July 21, 2012

Compiling QUEST with GNU Compilers on CentOS


QUEST (QUantum Electron Simulation Toolbox) is a Fortran 90/95 package that implements the Determinant Quantum Monte Carlo (DQMC) method for quantum electron simulations.

Compiling under gcc is complete breeze. Just do a simple.
# tar -xzf QUEST-1.3.0.tgz

# cd QUEST-1.3.0

# make
For different environments, please edit the make.inc file to suit your system. FOR GNU, you do not need to

For testing, you can go to  QUEST-1.3.0/EXAMPLE/verify
# ./verify

.....
.....
Parameters : t =  1.00, mu = -0.50, U =  0.00, beta =  1.50,
============================================================================
                    Theoretical | Computed (avg +- error) |  |T-C| : error
----------------------------------------------------------------------------
          Density :   0.828924  |  0.828924 +-  0.000000  |    0.00 :  0.00
           Energy :  -0.964017  | -0.964017 +-  0.000000  |    0.00 :  0.00
============================================================================
 91.11% within 1 error bar (Expected 63.2%).
100.00% within 2 error bar (Expected 86.5%).
 Running time:   322.1790     (second)

No comments: