llnl/mgmol issues and pull requests

#98 - fix nullptr issues

Pull Request - State: closed - Opened by oseikuffuor1 over 4 years ago

#97 - Fixes to enable tests run on Summit

Pull Request - State: closed - Opened by jeanlucf22 over 4 years ago

#96 - BlockVector on GPU

Pull Request - State: closed - Opened by Rombur over 4 years ago - 5 comments

#95 - dummy

Pull Request - State: closed - Opened by Rombur over 4 years ago - 1 comment

#94 - Cleanup authors

Pull Request - State: closed - Opened by jeanlucf22 over 4 years ago

#93 - Loewdin in GramMatrix

Pull Request - State: closed - Opened by jeanlucf22 over 4 years ago

#92 - Fixes for metal tests

Pull Request - State: closed - Opened by jeanlucf22 over 4 years ago

#91 - Fix warnings

Pull Request - State: closed - Opened by jeanlucf22 over 4 years ago

#90 - Remove compiler option from CMakeLists.txt

Pull Request - State: closed - Opened by jeanlucf22 over 4 years ago

#89 - Fix jenkins configuration file

Pull Request - State: closed - Opened by Rombur over 4 years ago

#88 - Fix and clean vcycle

Pull Request - State: closed - Opened by jeanlucf22 over 4 years ago

#87 - Clean up classes GramMatrix and ProjectedMatrices

Pull Request - State: closed - Opened by jeanlucf22 over 4 years ago

#86 - Use OpenMP offload in Rho.cc

Pull Request - State: closed - Opened by Rombur over 4 years ago

#85 - Switch from Boost::Test to Catch

Pull Request - State: closed - Opened by Rombur almost 5 years ago - 1 comment

#84 - Refactor BlockVector

Pull Request - State: closed - Opened by Rombur almost 5 years ago - 3 comments

#83 - Clean up HDF5 code

Pull Request - State: closed - Opened by jeanlucf22 almost 5 years ago - 1 comment

#82 - Remove compile time flag USE_DIS_MAT

Pull Request - State: closed - Opened by jeanlucf22 almost 5 years ago - 1 comment

#81 - OpenMP offload build system

Pull Request - State: closed - Opened by Rombur almost 5 years ago - 2 comments

#80 - Hide use of SparseDistMatrix

Pull Request - State: closed - Opened by jeanlucf22 almost 5 years ago - 1 comment

#79 - Update test

Pull Request - State: closed - Opened by oseikuffuor1 almost 5 years ago - 3 comments

#78 - Threaded test for VariableSizeMatrix insert function

Pull Request - State: closed - Opened by jeanlucf22 almost 5 years ago - 5 comments

#77 - Bug in MGmol::write_hdf5?

Issue - State: closed - Opened by Rombur almost 5 years ago - 2 comments

#76 - Update Dockerfile

Pull Request - State: closed - Opened by Rombur almost 5 years ago - 7 comments

#75 - Clean up

Pull Request - State: closed - Opened by Rombur almost 5 years ago - 2 comments

#74 - Add test for VariableSizeMatrix class.

Pull Request - State: closed - Opened by oseikuffuor1 almost 5 years ago - 6 comments

#73 - Add test for VariableSizeMatrix class

Issue - State: closed - Opened by oseikuffuor1 almost 5 years ago - 1 comment

#72 - Resolve issue #71

Pull Request - State: closed - Opened by oseikuffuor1 almost 5 years ago - 1 comment

#71 - Remove VariableSizeMatrix dependency on DataDistribution class

Issue - State: closed - Opened by oseikuffuor1 almost 5 years ago - 1 comment

#70 - Inconsistent mpicomm

Pull Request - State: closed - Opened by oseikuffuor1 almost 5 years ago

#69 - Fix platform-specific MPI_Comm issue

Issue - State: closed - Opened by oseikuffuor1 almost 5 years ago - 1 comment

#68 - Fix wave functions initialization with Fourier

Pull Request - State: closed - Opened by jeanlucf22 almost 5 years ago

#67 - Add regression test 'SpreadPenalty'

Pull Request - State: closed - Opened by jeanlucf22 almost 5 years ago

#66 - Optimize lforces

Pull Request - State: closed - Opened by jeanlucf22 almost 5 years ago

#65 - Clean up and enhance ProjectedMatrices interface

Pull Request - State: closed - Opened by jeanlucf22 almost 5 years ago - 3 comments

#64 - Remove class DistMatrixWithSparseComponent

Pull Request - State: closed - Opened by jeanlucf22 almost 5 years ago

#63 - WIP: Reduce use sparsedistmatrix

Pull Request - State: closed - Opened by jeanlucf22 almost 5 years ago

#62 - WIP: Clean up SparseDistmatrix

Pull Request - State: closed - Opened by jeanlucf22 almost 5 years ago

#61 - Clean up ExtendedGridOrbitals and its use

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago

#60 - Clean up ExtendedGridOrbitals and its use

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago - 2 comments

#59 - Add regression test for MVP solver

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago

#58 - Davidson

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago

#57 - Do not allocate masks for ExtendedGridOrbitals

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago

#56 - Add new test ProjectedMatrices

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago - 2 comments

#55 - Sanitizer

Pull Request - State: closed - Opened by Rombur about 5 years ago - 4 comments

#54 - Fix clang-tidy warnings

Pull Request - State: closed - Opened by Rombur about 5 years ago - 1 comment

#53 - Remove USE_MPI macro since MPI is always required

Pull Request - State: closed - Opened by Rombur about 5 years ago - 1 comment

#52 - Add jenkins configuration file

Pull Request - State: closed - Opened by Rombur about 5 years ago - 2 comments

#51 - Fix a memory leak

Pull Request - State: closed - Opened by Rombur about 5 years ago

#50 - Remove using namespace std;

Pull Request - State: closed - Opened by Rombur about 5 years ago

#49 - Add magma support

Pull Request - State: closed - Opened by Rombur about 5 years ago - 1 comment

#48 - Clean up class Ions

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago

#47 - Add Poisson FD scheme in output header

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago - 1 comment

#46 - Add option to Loewdin orthonormalization

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago - 1 comment

#45 - Simplify usage of RemoteTasksDistMatrix

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago - 1 comment

#44 - Clean up ExtendedGridOrbitals

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago

#43 - Minor updates in preparation for Chebyshev integration

Pull Request - State: closed - Opened by oseikuffuor1 about 5 years ago - 1 comment

#42 - Consolidate error messages in DistMatrix

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago - 1 comment

#41 - Template MPgemmNN on the MemorySpaceType

Pull Request - State: closed - Opened by Rombur about 5 years ago

#40 - Fix SP2 run-time options

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago - 1 comment

#39 - Minor changes to build_pel.sh and added modules.pel to be consistent …

Pull Request - State: closed - Opened by oseikuffuor1 about 5 years ago - 1 comment

#38 - Get rid of Read -1, expected <someNumber>, errno = 1 error in Docker

Pull Request - State: closed - Opened by Rombur about 5 years ago - 1 comment

#37 - Add regression test 'ShortSighted'

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago - 1 comment

#36 - Bug fix in writing gids in restart file

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago

#35 - Modify build_pel to be consistent with other build scripts in repo

Pull Request - State: closed - Opened by oseikuffuor1 about 5 years ago - 7 comments

#34 - Template MGgemm on the MemorySpaceType

Pull Request - State: closed - Opened by Rombur about 5 years ago - 1 comment

#33 - Fix warnings from Wall and Wpedantic

Pull Request - State: closed - Opened by Rombur about 5 years ago - 3 comments

#32 - Simplify code

Pull Request - State: closed - Opened by Rombur about 5 years ago

#31 - Clang tidy

Pull Request - State: closed - Opened by Rombur about 5 years ago - 5 comments

#30 - Switch tests to Boost::test

Pull Request - State: closed - Opened by Rombur about 5 years ago - 1 comment

#29 - Add option of choosing FD scheme for Poisson

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago - 1 comment

#28 - Fix a few issues with orthogonalization in iterative solvers

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago - 1 comment

#27 - Add MPI libraries in a more fine grain manner

Pull Request - State: closed - Opened by Rombur about 5 years ago - 3 comments

#26 - Move orthonormalization out of ABPG::updateWF function

Pull Request - State: closed - Opened by jeanlucf22 about 5 years ago

#25 - Apply clang-format

Pull Request - State: closed - Opened by Rombur about 5 years ago

#24 - Code cov

Pull Request - State: closed - Opened by Rombur about 5 years ago - 2 comments

#23 - Clang format

Pull Request - State: closed - Opened by Rombur about 5 years ago - 2 comments

#22 - DM needs to be properly updated after orthonormalization

Issue - State: closed - Opened by jeanlucf22 about 5 years ago - 1 comment
Labels: bug

#21 - Scalapack

Pull Request - State: closed - Opened by Rombur over 5 years ago - 1 comment

#20 - Arpack

Pull Request - State: closed - Opened by Rombur over 5 years ago - 1 comment

#19 - Chebyshev approximation for DM and Entropy calculation

Issue - State: open - Opened by oseikuffuor1 over 5 years ago
Labels: enhancement

#18 - Super sampling

Pull Request - State: closed - Opened by nikwoj over 5 years ago - 5 comments

#17 - Make building with OpenMP more portable

Pull Request - State: closed - Opened by Rombur over 5 years ago - 1 comment

#16 - Problem with FindSCALAPACK and FindARPACK

Issue - State: closed - Opened by Rombur over 5 years ago - 1 comment

#15 - Add unit test Replicated2DistMatrix

Pull Request - State: closed - Opened by jeanlucf22 over 5 years ago

#14 - Add missing header

Pull Request - State: closed - Opened by Rombur over 5 years ago - 1 comment

#13 - Ci

Pull Request - State: closed - Opened by Rombur over 5 years ago - 2 comments

#12 - Add missing target_link_libraries in the CMake build system

Pull Request - State: closed - Opened by Rombur over 5 years ago

#11 - Avoid replicated code in evaluation of potential on mesh

Issue - State: open - Opened by jeanlucf22 over 5 years ago
Labels: enhancement

#10 - Python script for post-processing electronic structure data for visualization

Issue - State: open - Opened by oseikuffuor1 over 5 years ago

#9 - Develop unit test for DistMatrix to/from replicated matrix conversion

Issue - State: closed - Opened by jeanlucf22 over 5 years ago - 1 comment
Labels: testing

#8 - Summit

Pull Request - State: closed - Opened by jeanlucf22 over 5 years ago

#7 - Add regression test for Spread Penalty

Issue - State: closed - Opened by jeanlucf22 over 5 years ago - 1 comment
Labels: testing

#6 - Implement computation of condition number of matrix using power method

Issue - State: closed - Opened by jeanlucf22 over 5 years ago
Labels: enhancement

#5 - Implement new function to initilize DistMatrix from replicated local dense matrix

Issue - State: closed - Opened by jeanlucf22 over 5 years ago
Labels: enhancement

#4 - Port to Summit @ OLCF, CPUs only

Issue - State: closed - Opened by jeanlucf22 over 5 years ago
Labels: enhancement

#3 - Develop unit test for VariableSizeMatrix class

Issue - State: closed - Opened by jeanlucf22 over 5 years ago
Labels: testing

#2 - Develop unit test for Poisson solver

Issue - State: open - Opened by jeanlucf22 over 5 years ago
Labels: testing

#1 - Can't find H5Pset_dxpl_mpio, etc

Issue - State: closed - Opened by yurivict almost 6 years ago - 2 comments

GitHub / llnl/mgmol issues and pull requests