This week I was implementing hp-adaptivity based on H1 projections first for the ground state and later for other states.
It took me the whole week to debug things and I am still not done. There were issues with normalizing vectors and other problems. I am now able to converge any individual vector and that seems to work fine, but I am still not able to converge multiple vectors somehow.
I spent also some time with speeding up my implementation of fekete points, and I have implemented the fast evaluation based on Lagrange interpolation polynomials. In general, I made for example the l2_norm() method about 10x faster. I think it's about as fast now as if it was written in C++ directly. The main loops are now optimized C without any Python C/API calls.
My plan is now to implement taking squares of the solutions (exactly), and so on, and projecting it back to the original mesh. I'll try converging to that. At the same time, I'll try to converge to multiple eigenvalues. Hermes1d needs some improvements, that take me quite some time to implement.
Friday, July 16, 2010
Saturday, July 10, 2010
Week June 5 -- July 9
This week I have learned how to use the new C++ support in Cython, and posted a demo project at github (http://github.com/certik/cpp_test), then I have refactored the Python wrappers in hermes1d and I think things are now way cleaner.
Then I have finished my reimplementation of Romanowski's algorithm for adapting eigenvalues for the radial Schroedinger equation, I've extracted his values from the graphs, calculated the same thing myself and it agrees perfectly.
I am now polishing the h1 adaptivity in h1d, I essentially reimplemented it myself, so that I can consider more candidates (all possible combinations of "p" and "h", and also soon I'll consider bisecting, trisecting and so on of the interval).
I've implemented hydrogen wavefunctions in sympy and use it to project onto a very fine mesh (12 order, lots of elements), convert to Fekete points and use it for the adaptivity. It's in pure Python, as I need to develop very fast to get some results and see what approach is the best. Everything is fast, except the selection of candidates, which I'll now rewrite into Cython and try to use hermes1d whenever possible.
Next week I'll try to merge my adaptivity with hermes1d adaptivity and make it fast. And see how it converges.
I've also spent about 10 hours with improving Pavel's hermes2d branch, as well as implementing the Vector class in hermes_common.
Then I have finished my reimplementation of Romanowski's algorithm for adapting eigenvalues for the radial Schroedinger equation, I've extracted his values from the graphs, calculated the same thing myself and it agrees perfectly.
I am now polishing the h1 adaptivity in h1d, I essentially reimplemented it myself, so that I can consider more candidates (all possible combinations of "p" and "h", and also soon I'll consider bisecting, trisecting and so on of the interval).
I've implemented hydrogen wavefunctions in sympy and use it to project onto a very fine mesh (12 order, lots of elements), convert to Fekete points and use it for the adaptivity. It's in pure Python, as I need to develop very fast to get some results and see what approach is the best. Everything is fast, except the selection of candidates, which I'll now rewrite into Cython and try to use hermes1d whenever possible.
Next week I'll try to merge my adaptivity with hermes1d adaptivity and make it fast. And see how it converges.
I've also spent about 10 hours with improving Pavel's hermes2d branch, as well as implementing the Vector class in hermes_common.
Saturday, July 3, 2010
Week June 28 -- July 2
On Saturday I flew to Prague, then to Pilsen to the ESCO2010 conference. I had to presentations there and I met lots of awesome people.
I discussed with Dmitri how to solve the Euler equations using FEM and I think I know how to implement it now in hermes2d. I will try to give it a shot at the end of the summer, as this is something that was bothering me a lot.
I have made a progress in my fekete points code, I also wrote analytic solutions for the hydrogen atom in sympy. I'll wrap it up over the weekend and push to h1d.
I have investigated how to use github for collaboration using git, here is how it looks like for sympy: http://github.com/sympy.
I have figured out how to host any domain at github, in particular this:
http://theoretical-physics.net/
now runs at github. I think this is really awesome.
Besides that, I spent some time discussing how to do hp-adaptivity in h1d with Pavel and other people, as well as I helped couple people with hermes2d and so on.
My plan for the next week is to implement hp-adaptivity in h1d for eigenproblems, as well as finish my fekete machinery and make it fast using cython and use it in conjunction with the h1d adaptivity.
I discussed with Dmitri how to solve the Euler equations using FEM and I think I know how to implement it now in hermes2d. I will try to give it a shot at the end of the summer, as this is something that was bothering me a lot.
I have made a progress in my fekete points code, I also wrote analytic solutions for the hydrogen atom in sympy. I'll wrap it up over the weekend and push to h1d.
I have investigated how to use github for collaboration using git, here is how it looks like for sympy: http://github.com/sympy.
I have figured out how to host any domain at github, in particular this:
http://theoretical-physics.net/
now runs at github. I think this is really awesome.
Besides that, I spent some time discussing how to do hp-adaptivity in h1d with Pavel and other people, as well as I helped couple people with hermes2d and so on.
My plan for the next week is to implement hp-adaptivity in h1d for eigenproblems, as well as finish my fekete machinery and make it fast using cython and use it in conjunction with the h1d adaptivity.
Friday, June 25, 2010
Week June 20 -- June 25
This week I implemented a Dirac solver in 1D, I have it in my private branch and I'll get a permission at the end of the summer to get it opensourced. Originally it didn't work at all, but then I've found a bug and it seems to be working now.
Before it I've implemented an example for the y''+k^2*y=0 equation in hermes1d by writing it as two coupled first order equations and solving the eigenproblem for "k".
I also started to implement a Function class that represents a function in 1D using Fekete points and I plan to implement orthogonal projections and adaptive algorithms for refining the mesh, so that I can play with adaptivity in 1D.
Besides that I studied couple articles about using b-splines to solve the radial Dirac equation and also about using variational formulation for FEM.
I helped fix hermes_common and did lots of administration at the lab (10 online courses and other things). We also got an awesome NIF tour.
Hermes1D patches:
hermes_common patches:
Before it I've implemented an example for the y''+k^2*y=0 equation in hermes1d by writing it as two coupled first order equations and solving the eigenproblem for "k".
I also started to implement a Function class that represents a function in 1D using Fekete points and I plan to implement orthogonal projections and adaptive algorithms for refining the mesh, so that I can play with adaptivity in 1D.
Besides that I studied couple articles about using b-splines to solve the radial Dirac equation and also about using variational formulation for FEM.
I helped fix hermes_common and did lots of administration at the lab (10 online courses and other things). We also got an awesome NIF tour.
Hermes1D patches:
Ondrej Certik (26):
Remove the autogenerated Makefile
hermes_common updated
Dirac solver added
Plot only 10 eigenfunctions
Fix the number of equations bug
Generate the Gauss Lobatto points
Add the autogenerated file
Don't use strings as dict keys
Fekete points manipulation implemented
fekete: solve the coefficients, tests pass
More tests added
system_sin_eigen example added
Add a comment about the Lagrange interpolation
Function.project_onto() implemented
Function.plot() implemented
Comparisons implemented
Fix precision problems
Improve tests
Start implementing the adaptivity
fekete: add a debug code
Removing the Dirac solver for now
Use smaller basis, while still getting reasonable results
Add harmonic oscillator option
hermes_common updated
Use jsplot if it is available
Better demo
hermes_common patches:
Ondrej Certik (6):
Revert "fixed pxd"
Update the generated .cpp file
Increase the precision in tests to 10^-10
Add tests for solve_linear_system_dense_lu()
Enable scipy tests
Test for solve_linear_system_cg() added
Friday, June 18, 2010
June 12 -- June 18
This week I have implemented a JSPlot library, which allows to use matplotlib API, but plot into your web browser:
http://github.com/certik/jsplot
(Scroll down a little bit to see the screenshots and examples.)
This was the last missing piece to be able to develop with FEMhub (I don't have a root access to my computer, running RHEL5). Now I have the full Python stack working (scipy, all the solvers, mayavi, ...), plus nice plotting in the browser.
I have spent several days investigating how to write weak forms for the radial Dirac equation as well as how to derive the action for it. It turns out, that one takes the Lagrangian from quantum electrodynamics (QED), converts it to spherical coordinates (which you can imagine is a hell of a job) and then integrates over angles and what remains is the Lagrangian (resp. action) for the radial Dirac equation. People used that in the literature a lot, but I just could not figure out where they take the functional from. So that part is clear and then I went to coding.
Here are the commits for JSPlot:
I fixed some scipy warnings in hermes2d:
I have fixed Python wrappers in hermes1d, made the Schroedinger example work again:
I fixed some build issues with FEMhub:
and I have some more patches to the build system in my "pu" branch at github:
I still need to test that femhub builds fine with those (it always takes quite some testing to make sure it builds properly).
http://github.com/certik/jsplot
(Scroll down a little bit to see the screenshots and examples.)
This was the last missing piece to be able to develop with FEMhub (I don't have a root access to my computer, running RHEL5). Now I have the full Python stack working (scipy, all the solvers, mayavi, ...), plus nice plotting in the browser.
I have spent several days investigating how to write weak forms for the radial Dirac equation as well as how to derive the action for it. It turns out, that one takes the Lagrangian from quantum electrodynamics (QED), converts it to spherical coordinates (which you can imagine is a hell of a job) and then integrates over angles and what remains is the Lagrangian (resp. action) for the radial Dirac equation. People used that in the literature a lot, but I just could not figure out where they take the functional from. So that part is clear and then I went to coding.
Here are the commits for JSPlot:
Ondrej Certik (38):
Initial commit
Make index.html work
README added
Hook up raphael
Serve raphael-min.js locally
Plot simpler stuff
Works fine
plots work
Download all the raphael stuff locally
raphael.html added
Use {% url %}
Use simpler urls
Typo fix
Flotr demo added
Use flotr in the index page
Don't recalculate
Add data by hand
Generate the data in Python
Add another flotr demo
Example mpl plot added
jsplot example added
runserver.py added
Hook it up with jsplot
Add a screenshot
Better README added
README improved
Show some testing data
Use better testing data
License added
setup.py added
Use testing data if data == []
Just return from the function on CTRL-C
spkg-install added
prepend the .. path, instead of append
Use the proper local files in ./manage.py
Turn off points
Fix a bug
Add grid and legend
I fixed some scipy warnings in hermes2d:
ondrej@crow:~/repos/hermes2d(master)$ git weekreport
Ondrej Certik (4):
hermes_common updated
Fix the other SciPy warning in Python wrappers
Update the generated .cpp file
update hermes_common
I have fixed Python wrappers in hermes1d, made the Schroedinger example work again:
ondrej@crow:~/repos/hermes1d(master)$ git weekreport
Ondrej Certik (19):
Use jsplot if available
Build everything for now
Make the Python wrappers work again
Fix the lhs/rhs/residual to build properly
Polish the forms a little bit
Enable assembling
Implement c2py_Mesh
Use c2py_Mesh in the schroedinger example
Update insert_matrix in Schroedinger
Fixed the rest in Schroedinger
copy_mesh_to_vector() and copy_vector_to_mesh() added to the Mesh class
Use JSPlot
Linearizer.get_xy() fixed
Implement Mesh.copy_vector_to_mesh() and use it from get_xy()
Use CooMatrix to assemble
Implement pysparse solver
Polish the numpy solver
Polish the printing a little bit
Rename assemble_jacobian() to assemble_matrix()
I fixed some build issues with FEMhub:
ondrej@crow:~/repos/femhub(master)$ git weekreport
Ondrej Certik (3):
Add gnutls dependency for Python
opencdk added
Fix libgpg_error to build in parallel
and I have some more patches to the build system in my "pu" branch at github:
* 44398d8 (github/pu) Use absolute paths in "femhub -i"
* 2b17bf0 Fix "femhub --devel-install" to normalize the paths
* 3b41261 Make "femhub --shell" stay in the current directory
I still need to test that femhub builds fine with those (it always takes quite some testing to make sure it builds properly).
Friday, June 11, 2010
week June 5 -- June 11
On Sunday I moved to Livermore.
On Monday I rebased my patches for Euler Equations, DG and FVM for hermes2d, sent for review. Unfortunately it took till Friday until they got reviewed, but they are now in.
I couldn't sleep, so at around midnight I turned on my computer and rewrote the build system for femhub, it took me about 1.5h. Then I could finally sleep well.
On Tuesday I had my new hire orientation. During it I wrote couple more patches for femhub.
On Wednesday I got my badge and spent the rest of the day with paperwork. They didn't manage to get my computer setup, so I studied a bit of Quantum Field Theory from a book that I found in our room and then spent the rest of the night figuring out the weak formulation for the radial Dirac equation. So far no luck, but at least I wrote it in many different forms in my hand written notes. Sometimes it's not bad to be cut off the internet and computers.
On Thursday I got my computer account setup and spent most of the day with paperwork.
On Friday I finally did some real work. Then we got to a pub, got home and drank the rest of my Budvars (Czechvar) and Plzeňs (Pilsner Urquell).
The FEMhub build system is really cool. It's written in Python and I totally got rid of the old Sage build system. Some features of the new one:
* dependencies
* automatically uses all your processors (unless told otherwise)
* simple Python script (414 lines) that handles everything, plus sage-env, sage-spkg and sage-make_relative scripts (the rest I simply deleted)
* allows you to install just some packages, for example "./femhub -i python" just installs python and it's dependencies
* allows you to unpack any package into the devel/ directory and then build it
I will not use it to develop hermes1d+schroedinger and dirac solvers over the summer, so it will likely get improved in the coming weeks. (I have to use it, because my computer is some old RHEL5, and I don't have a root access. With FEMhub, I have all the Python libraries plus cmake and similar stuff right there. It's really awesome.)
In total, I wrote 52 patches for FEMhub, 3 for hermes_common, 9 for hermes2d, 8 for hermes1d and 1 for sympy:
On Monday I rebased my patches for Euler Equations, DG and FVM for hermes2d, sent for review. Unfortunately it took till Friday until they got reviewed, but they are now in.
I couldn't sleep, so at around midnight I turned on my computer and rewrote the build system for femhub, it took me about 1.5h. Then I could finally sleep well.
On Tuesday I had my new hire orientation. During it I wrote couple more patches for femhub.
On Wednesday I got my badge and spent the rest of the day with paperwork. They didn't manage to get my computer setup, so I studied a bit of Quantum Field Theory from a book that I found in our room and then spent the rest of the night figuring out the weak formulation for the radial Dirac equation. So far no luck, but at least I wrote it in many different forms in my hand written notes. Sometimes it's not bad to be cut off the internet and computers.
On Thursday I got my computer account setup and spent most of the day with paperwork.
On Friday I finally did some real work. Then we got to a pub, got home and drank the rest of my Budvars (Czechvar) and Plzeňs (Pilsner Urquell).
The FEMhub build system is really cool. It's written in Python and I totally got rid of the old Sage build system. Some features of the new one:
* dependencies
* automatically uses all your processors (unless told otherwise)
* simple Python script (414 lines) that handles everything, plus sage-env, sage-spkg and sage-make_relative scripts (the rest I simply deleted)
* allows you to install just some packages, for example "./femhub -i python" just installs python and it's dependencies
* allows you to unpack any package into the devel/ directory and then build it
I will not use it to develop hermes1d+schroedinger and dirac solvers over the summer, so it will likely get improved in the coming weeks. (I have to use it, because my computer is some old RHEL5, and I don't have a root access. With FEMhub, I have all the Python libraries plus cmake and similar stuff right there. It's really awesome.)
In total, I wrote 52 patches for FEMhub, 3 for hermes_common, 9 for hermes2d, 8 for hermes1d and 1 for sympy:
FEMHUB:
Ondrej Certik (52):
scipy and python upgraded
Remove the old buildsystem
New Python based buildsystem implemented
Install hermes2d by default
Compile in parallel
Let CmdException propagate
Handle dependencies
Fix the PYTHONPATH issue
Add a check that IPython is installed
Add Cython dependency to hermes2d
Add matplotlib to hermes2d deps
Keep track of installed packages
Add the -j option
Add the rest of the packages
Disable sphinx for now
Add a todo item
Disable mayavi for now
Add pysparse to fipy deps
Change the banner
Fix a typo
Remove old .hg files
setuptools added into fipy's deps
lab() implemented
Don't let other import errors to pass silently
Build bzip2 before Python
Simplify the makefile
Add the jinja2 package
Remove one forgotten " from a message
--shell and -s/--script options implemented
Fix cmake so that it builds if old cmake is present
expandvars() added to cmd()
Remove the rest of old buildsystem files
Move spd imports to femhub imports
Move download_packages into the femhub buildsystem
Remove a forgotten file from the old buildsystem
Create the standard directory if it doesn't exists
Polish the banner appearance
femhub-run: little refactoring
Use proper ipythonrc and matplotlibrc
Wrap lab(), add debugging statements
Don't import lab() in the ipythonrc
Fix the missing "-p" when creating the standard directory
Fix the problem with ambiguous names
cpu_count refactored
hermes1d added
-f/--force option added
--unpack added
--pack option implemented
--devel-install option implemented
Use MAKEFLAGS instead of MAKE env variable
Improve the FEMhub shell prompt
Print info when unpacking
hermes2d:
Ondrej Certik (9):
Removing the old-code directory
hermes_common update
Reformat the documentation in the Geom class
Python wrappers updated
Regenerate the _hermes2d.cpp
plot.py: ScalarView updated
Element orientation exported
Sanity checks and docs
Add all shapefunctions to the space L2
hermes1d:
Ondrej Certik (8):
spkg-install added
"make install" implemented
Make it build on the Mac
Allow to turn off examples
Use std::max(), fixed several warnings
hermes_common updated
Fix h1_polys.py to work with FEMhub's SymPy
Fix the new line warning
hermes_common:
Ondrej Certik (3):
Add numpy2c_double_inplace() to _hermes_common.pxd
Update the generated cpp file
Fix a small double -> int bug/warning
sympy:
Ondrej Certik (1):
pyglet: fix string exceptions
Friday, June 4, 2010
week May 30 -- June 4
Over the weekend and Monday I went to Livermore, CA to rent a room to live. On Monday and Tuesday my uncle visited me from Prague so I showed him Virginia City and Lake Tahoe, that was lots of fun.
Then I tried to debug hermes1d and some matrix issues in there for couple hours, but failed so far.
I've helped Sameer to fix h5py to compile with FEMhub.
Yesterday I spent 12h setting up gitosis on our server and finally got it done, here is the web interface:
http://git.hpfem.org/
I had to patch the gitosis repository itself, here are my changes: http://github.com/certik/gitosis (I've also sent them to Tommi Virtanen, the gitosis author, but I haven't heard back yet.)
In case you wanted to install it as well, I've posted instructions here.
I've figured out how to use msysgit with windows and use ssh keys to login to a linux box. It turns out it's not so trivial, see this issue.
I submitted the following patches to our projects at hpfem.org:
Btw, my "git weekreport" alias is defined as:
Next week I am moving to Livermore, and my summer internship will get started.
Then I tried to debug hermes1d and some matrix issues in there for couple hours, but failed so far.
I've helped Sameer to fix h5py to compile with FEMhub.
Yesterday I spent 12h setting up gitosis on our server and finally got it done, here is the web interface:
http://git.hpfem.org/
I had to patch the gitosis repository itself, here are my changes: http://github.com/certik/gitosis (I've also sent them to Tommi Virtanen, the gitosis author, but I haven't heard back yet.)
In case you wanted to install it as well, I've posted instructions here.
I've figured out how to use msysgit with windows and use ssh keys to login to a linux box. It turns out it's not so trivial, see this issue.
I submitted the following patches to our projects at hpfem.org:
ondrej@raven:~/repos/hermes1d(master)$ git weekreport
Ondrej Certik (3):
Reverting the change dfa8580
hermes_common updated
hermes_common updated
ondrej@raven:~/repos/hermes2d(master)$ git weekreport
Ondrej Certik (5):
Fix "make install" to work again
hermes_common updated
remove hermes_common/doc/Makefile from .gitignore
Remove _XOPEN_SOURCE and _POSIX_C_SOURCE hacks
Fix the compilation warning
Btw, my "git weekreport" alias is defined as:
[alias]
weekreport = shortlog --since=1.weeks --author=ondrej
Next week I am moving to Livermore, and my summer internship will get started.
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