François Coppens
f6f8746bef
Optimised matrix multiplication with V.
2021-07-01 13:44:28 +02:00
François Coppens
7b9b176545
- Replaced the copy-arrays in the combined SMWB kernels with pointers
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- Added loop in test_cycle() to repeat a single update cycle n-times for performance testing.
2021-06-23 17:28:29 +02:00
Francois Coppens
837e160f17
- Added various Sherman-Morrison-Woodbury kernels
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- Separated debug information into 2 different debug levels.
2021-06-21 14:33:35 +02:00
Francois Coppens
22590b7684
* Woodburry 3x3 kernel fixed
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* Written Unified Sherman-Morrison-Woodbury kernel that partitions
the updates in blocks of 3 and tries them with Woodbury 3x3.
The remainder of 2 or one are attempted with Woodbury 2x2 and SM2.
For now the unified kernel gives fails where pure SM2 does not.
I suspect there is something going wrong in how the updates are partitioned.
2021-06-15 11:53:04 +02:00
Francois Coppens
573947fe2d
Woodbury debugging...
2021-06-11 08:46:39 +02:00
François Coppens
288bc83e19
Created Woodbery kernel infrastructure and started wrinting Woodbery 2x2 kernel.
2021-06-04 16:50:49 +02:00
François Coppens
c8df88b4ef
Made lapack/MKL inclusion in code dependent on preprocessor macro 'MKL'. Automatic build should now succeed.
2021-05-21 11:54:57 +02:00
François Coppens
6c9c68c93d
Added LAPACK option to test_h5.cpp to compare residuals and number of operations.
2021-05-20 19:21:59 +02:00
François Coppens
17c8a1c7a0
Code restyled. Added restyling script. Code for determinant is not working because it gets stuck in an infinite recursion loop.
2021-05-19 15:23:19 +02:00
François Coppens
5693e177ba
Re-applied code formatting on C++ code with clang-format --style=llvm.
2021-05-10 14:50:45 +02:00
Francois Coppens
adf893ed6f
- Various fixes
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- Merged MaponiA3 and MaponiA3S into one file.
2021-05-07 17:11:04 +02:00
Pablo Oliveira
f4becac4c0
First implementation of SM4
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SM4: Sherman Morrison, mix between SM3 + SM2
Leave zero denominators for later (SM3), and when none are left then split (SM2)
2021-05-06 10:51:42 +02:00
François Coppens
3ee4d3b56d
- Added a small 3x3 example that will always become singular regardles the order of the applied updates. This example is added to test Maponi A3 augmented with Slagel-splitting.
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- Slagel-splitting in Maponi A3 is now working. A thourough analysis on the QMC=Chem datasets still has te be done.
- Acceptance tollerance in 'test_h5' on the residuals can be set at runtime now.
2021-05-05 11:59:00 +02:00
Francois Coppens
e3815267fb
* Added SM{1,2,3} algorithms to Fortran module
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* Deleted final ylk array in MaponiA3(S)
* Output of Valgrind seem to suggest there are no major memory problems.
2021-05-05 11:59:00 +02:00
Francois Coppens
1201718f28
Preped files, headers, functions, test_h5 and Makefiles for MaponiA3S.
2021-04-14 17:18:31 +02:00
Francois Coppens
ab9d13180a
Small restructuring and cleaning up spurious includes and and namespaces.
2021-04-14 15:32:54 +02:00
Francois Coppens
152093dd7c
- Added python program that computes general properties of a given Slater-matrix.
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- Added a Verificarlo option to smvars.sh that sets the Verificarlo backend and uses LLVM for compilation.
- Fixed residual_max() to give the Max-norm.
2021-04-14 11:42:45 +02:00
Francois Coppens
c2f643ad8f
- Updated cleaning target in Makefile
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- Updated gitignore
- Added python script to compute basic statistical observables from testruns
- Added test bash script to automate test_h5: the cycles in the dataset are not continues and test_h5 crashes if a cycle number is not present in the dataset.
- Added common threshold for all 3 standard SM algos.
2021-04-09 17:23:14 +02:00
Francois Coppens
7caf12c296
Cleaned up: datasets, test-program name, Makefiles. Use column numbers in SM_Standard.cpp.
2021-04-06 16:17:42 +02:00
François Coppens
f5a2e635cf
Added environment variables source script. Added test script that loops over update cycles. Added test program that loops internally over test cycles.
2021-02-28 09:28:42 +01:00
François Coppens
8e0aef7717
Restructuring complete. Updated makefile.
2021-02-27 12:25:55 +01:00
