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Author	SHA1	Message	Date
Francois Coppens	0614971437	More minor bug fixes	2021-09-21 14:20:41 +02:00
Francois Coppens	c9d1abd29d	Fixed minor bug	2021-09-21 13:42:44 +02:00
Francois Coppens	177411f472	Removed binary file.	2021-09-21 12:30:59 +02:00
Francois Coppens	71e7fcc1b3	Added test that uses SMW kernes in QMCkl from Fortran.	2021-09-21 12:30:43 +02:00
Francois Coppens	3a90248cc1	Cleanup and compiler flags.	2021-07-30 11:51:04 +02:00
Francois Coppens	74bb333de1	- Passing break-down threshold as a function argument ... - Renaming kernels to correspond with the ones in QMCkl - In the qmckl-version of the test program, chaning the way integer data is read from the HDF5 file.	2021-07-29 12:01:26 +02:00
Francois Coppens	6ce2055e59	* Removed dependency on qmckl_threshhold() and the accompanying preprocessor definition. ... The break-down threshold now has to be passed explicitly as a function argument. * Break-down threshold must now be passed on the command line together with the residual threshold.	2021-07-26 17:48:52 +02:00
Francois Coppens	7fb5ead349	Added and tested Woodbury 3x3 kernel to QMCkl. ... Residual = wb3 14 9.92936e-07 1.90518e-11 ok -- cycle 14 Residual = qmckl_wb3 14 9.92936e-07 1.90518e-11 ok -- cycle 14.	2021-07-22 11:44:37 +02:00
Francois Coppens	e188871df4	Fixed unsigned int/uint64_t/H5::PredType::STD_U32LE problem in qmckl_test_h5.cpp that caused the segmentation faults due to array indices running out of bounds. Naive Sherman-Morrison and Woodbury 2x2 kernels are working correctly from QMCkl with good accuracy. ... Residual = sm1 23 2.665e-07 5.85161e-13 ok -- cycle 23 Residual = qmckl_sm1 23 2.665e-07 5.85161e-13 ok -- cycle 23 Residual = wb2 23 2.665e-07 5.85161e-13 ok -- cycle 23 Residual = qmckl_wb2 23 2.665e-07 5.85161e-13 ok -- cycle 23	2021-07-22 10:45:21 +02:00
Francois Coppens	675f5bef41	Changes in qmckl	2021-07-21 17:40:07 +02:00
Francois Coppens	e314987bb7	Added Woodbury 2x2 to QMCkl test program tests/qmckl_test_h5.cpp. For now it crashes with a segmentation fault when run on a cycle with 2 updates (qmckl_test_h5 wb2 3 3 1e-3 1) .	2021-07-21 17:37:21 +02:00
Francois Coppens	d4cb4afb85	- Cleaned up unnecessary symlinks ... - Switched Intel compiler back to icpx	2021-07-21 16:32:13 +02:00
Francois Coppens	b9cc63cf8c	Fixed test so it uses the qmc=chem dataset. Test passes but segfaults on cycles with more than one update.	2021-07-21 16:25:02 +02:00
François Coppens	4f29412bbb	Merge pull request #1 from pablooliveira/qmckl_integration ... Fix linking problem against libqmckl	2021-07-21 13:19:04 +02:00
Pablo Oliveira	0f7d613956	Fix linking problem against libqmckl	2021-07-21 12:24:01 +02:00
Francois Coppens	b7764bb229	Trying to fix linking against QMCkl.	2021-07-21 11:48:32 +02:00
Francois Coppens	8961f78ea2	- Added a new test program tests/qmckl_test_h5.cpp that uses SM1 (qmckl_sherman_morrison_c) from the QMCkl library. ... - Added build entry in Makefile for tests/qmckl_test_h5.cpp. #25	2021-07-20 16:58:04 +02:00
Francois Coppens	0849e23100	New commits. See QMCkl repo.	2021-07-19 14:51:14 +02:00
Francois Coppens	579bb50dca	Added QMCkl as a git submodule in /home/fcoppens/code/Sherman-Morrison/qmckl. #25	2021-07-19 14:33:25 +02:00
François Coppens	5ca2ac4d5c	Merge pull request #51 from fmgjcoppens:qmckl_integration ... qmckl_integration	2021-07-19 08:17:01 +02:00
Francois Coppens	2ec8fb278c	Minor modifications to test programs.	2021-07-17 11:40:59 +02:00
François Coppens	f10502da9d	Cleaning 2	2021-07-15 18:15:46 +02:00
François Coppens	3c87cb311e	Simplified SM2(...) {...}	2021-07-15 18:14:47 +02:00
François Coppens	2a39aabaf0	Cleanup 1	2021-07-15 17:56:33 +02:00
François Coppens	08e4e56e50	Merge pull request #50 from fmgjcoppens/woodbury-perf-tweaks ... More performance enhancements to WB2 and WB3.	2021-07-12 16:39:47 +02:00
Francois Coppens	bff7e0c389	More performance enhancements to WB2 and WB3.	2021-07-12 16:36:42 +02:00
François Coppens	05473c81d4	Merge pull request #49 from fmgjcoppens/optimise_wb3 ... Woodbury 3x3 optimisations	2021-07-12 08:20:19 +02:00
François Coppens	fa61b50bb0	- Optimize WB3 by inlining matmuls and simplifying copies ... - Occasional code restyling with 'clang-formant --style=LLVM'.	2021-07-12 08:13:58 +02:00
Pablo Oliveira	f98b4f926b	Define HDF5_CXX	2021-07-09 16:54:37 +02:00
François Coppens	bc0cd03f02	Merge pull request #48 from fmgjcoppens/cycles_from_file	2021-07-09 16:09:24 +02:00
François Coppens	4f0aaa5763	Cosmetics	2021-07-09 16:00:29 +02:00
Francois Coppens	43b996dad9	- Added tests/fnu_test_h5.cpp that takes its input cycle numbers from a file instead of from the command line. ... - Suppressed all debug output so as to not polute performance measurements.	2021-07-09 14:30:37 +02:00
François Coppens	99fcaa60b6	Merge pull request #47 from pablooliveira/optimize-wb2 ... Optimize WB2 by inlining matmuls and simplifying copies	2021-07-08 14:26:00 +02:00
Pablo Oliveira	c30967e63d	Optimize WB2 by inlining matmuls and simplifying copies	2021-07-08 12:53:50 +02:00
François Coppens	61df6e2827	Merge pull request #46 from fmgjcoppens/bug/woodbury ... Solved bug in Woodbury and SM/WB mix kernels	2021-07-08 11:15:59 +02:00
François Coppens	67f5379bea	- Moved check on determinants in Woodbury kernels before inversion of B that was there by mistake. ... - Split SM2 into SM2 and SM2star so that keeps all updates for later when used in combination with the Woodbury kernels to improve the numerical accuracy to the same level as that of SM2.	2021-07-07 12:06:31 +02:00
François Coppens	6f282f329c	Merge pull request #45 from fmgjcoppens/opt_UV ... Optimised matrix multiplication with V	2021-07-02 11:12:43 +02:00
François Coppens	f6f8746bef	Optimised matrix multiplication with V.	2021-07-01 13:44:28 +02:00
François Coppens	e3dc3632a4	Merge pull request #44 from fmgjcoppens:cleanup ... SMWB cleanup & performance measurements	2021-06-23 17:40:33 +02:00
François Coppens	7b9b176545	- Replaced the copy-arrays in the combined SMWB kernels with pointers ... - Added loop in test_cycle() to repeat a single update cycle n-times for performance testing.	2021-06-23 17:28:29 +02:00
François Coppens	a4397f1496	Merge pull request #43 from fmgjcoppens/woodbury ... Woodbury cleanup	2021-06-21 14:44:05 +02:00
Francois Coppens	837e160f17	- Added various Sherman-Morrison-Woodbury kernels ... - Separated debug information into 2 different debug levels.	2021-06-21 14:33:35 +02:00
Aurélien Delval	4b34fd7e17	Merge pull request #42 from PurplePachyderm/dev ... Remove source code of vfc_ci and improve vfc_test_h5.cpp	2021-06-21 11:44:15 +02:00
Aurélien Delval	0114fd7b14	Remove source code of vfc_ci and improve vfc_test_h5.cpp ... Since vfc_ci has been merged wih the main verificarlo repository and is now available in Verificarlo's Docker, the source code of vfc_ci can now be removed. Also, vfc_test_h5.cpp has been modified so that every algorithm is called directly. This results in a much shorter vfc_tests_config.json since we don't need to vall vfc_test_h5 with all algorithms as arguments.	2021-06-17 16:50:42 +02:00
François Coppens	cb8cb2c426	Merge pull request #41 from fmgjcoppens/woodbury ... Corrected tiny bug in Verificarlo makefile.	2021-06-15 12:21:46 +02:00
Francois Coppens	8e250ae39f	Corrected tiny bug in Verificarlo makefile.	2021-06-15 12:18:49 +02:00
François Coppens	8dac636c94	Merge pull request #40 from fmgjcoppens/woodbury ... Woodbury 2x2 and 3x3 kernels + Unified Sherman-Morrison-Woodbury kernel (SMWB1).	2021-06-15 12:02:34 +02:00
Francois Coppens	22590b7684	* Woodburry 3x3 kernel fixed ... * 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
François Coppens	b6efc97233	Woodbury 2x2 kernel fixed and working.	2021-06-14 15:05:39 +02:00
Francois Coppens	573947fe2d	Woodbury debugging...	2021-06-11 08:46:39 +02:00