Parallelism
The major computational effort in calculations with the Hibridon code is associated with
a series of matrix-matrix (BLAS3) operations (matrix inversions, diagonizations, and multiplications), which
are carried out by calls to the LAPACK routines DGETRF, DGETRI, DSYEVR, and DGEMM.
The latest version
of Intel's (MKL math library as well as
of Apple's veclib (/System/Library/Frameworks/Accelerate.framework/Versions/Current) include, automatically,
parallel versions of these LAPACK routines, so that considerable performance enhancement can be
achieved when running on multi-cpu, multi-core workstations.
At the end of every job, the output file shows the total
cpu and wall clock times for the calculation. The wall time is the actual elapsed time for the job, while the cpu
time is the time the job would take on a single cpu. The ratio of twall to tcpu is a
measure of the use of parallelism.
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