On May 2, 9:10 am, Rick wrote:
> I was posting to the list mostly because I would like to know whether
> I can do something different when I profile my code so that it give
> results that correspond more closely to those that the nonprofiling
> results give.
A good comment that was emailed to me
On May 1, 7:38 pm, Terry Reedy wrote:
> I presume in your overall time text, you ran the two versions of the
> algorith 'naked'. But, for some reason, you are profiling them embedded
> inside a test suite and runner. It does not seem that this should
> affect relative timing, but I have seen so
Rick wrote:
[Rearrangee to put answer after question. Unless your name is Guido and
you are making a short pronouncement that you want to be sure everyone
sees, please do not toppost]
>>> My question to the mailing list is what am I doing wrong with my
>>> profiling that it shows such poor pr
Sorry, I'm running the function:
def debugsuite():
import profile,pstats
profile.run('runsuite()','prof')
prof = pstats.Stats('prof')
prof.strip_dirs().sort_stats('time').print_stats(15)
where runsuite() runs the Hartree-Fock energy of a water molecule, and
is given by:
import u
Rick Muller wrote:
I'm the main programmer for the PyQuante package, a quantum chemistry
package in Python. I'm trying to speed up one of my rate determining
steps. Essentially, I have to decide between two algorithms:
1. Packed means that I compute N**4/8 integrals, and then do a bunch
of index
quantum chemistry sounds complicated. that means any advice i can give you
makes me a genius! just kidding. i've heard through the grapevine that
reentrant functions mess up profilers.
On Fri, May 1, 2009 at 2:54 PM, Rick Muller wrote:
> I'm the main programmer for the PyQuante package, a quantu
I'm the main programmer for the PyQuante package, a quantum chemistry
package in Python. I'm trying to speed up one of my rate determining
steps. Essentially, I have to decide between two algorithms:
1. Packed means that I compute N**4/8 integrals, and then do a bunch
of indexing operations to unp
