If you look at Fig. 13 of Umrigar, Nightingale, Runge, J. Chem. Phys. 1993, you will see that it is nearly quadratic near tau=0.
I do not know of a theoretical argument for the behaviour of the time-step error.
What is the x-scale on your plots?
Cyrus
Search found 4 matches
- Fri Mar 09, 2018 6:43 am
- Forum: Quantum Monte Carlo
- Topic: DMC timestep bias asymptotic
- Replies: 17
- Views: 165825
- Thu Feb 20, 2014 1:55 pm
- Forum: Computational electronic structure
- Topic: OpenMP versus Posix/SystemV
- Replies: 7
- Views: 73887
Re: OpenMP versus Posix/SystemV
Dear Mike and Lucian,
Thank you very much for the information and for your willingness to share your 3 shared memory subroutines!
Cyrus
Thank you very much for the information and for your willingness to share your 3 shared memory subroutines!
Cyrus
- Sat Feb 01, 2014 4:24 am
- Forum: Computational electronic structure
- Topic: OpenMP versus Posix/SystemV
- Replies: 7
- Views: 73887
Re: OpenMP versus Posix/SystemV
Mike, Thanks very much for your reply! Your solution sounds like magic. I would guess it is a bit harder to do than you indicate, but if it is even remotely as simple to use as you indicate it would save a lot of time. So, yes, I would be very grateful to have permission to use it. Actually my immed...
- Wed Jan 29, 2014 5:20 pm
- Forum: Computational electronic structure
- Topic: OpenMP versus Posix/SystemV
- Replies: 7
- Views: 73887
OpenMP versus Posix/SystemV
This is a general question about parallel programming. Suppose you have a large array that is used by every process but never altered during the run. Examples of this are the B-splines file in VMC/DMC or the integrals file in FCIQMC/SQMC. If every process on a node were to have its own copy of this ...