Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / lanl/qmd-progress issues and pull requests

#297 - Venado optimizations

Pull Request - State: open - Opened by mewall about 1 month ago

#296 - Update XYZ Trajectory Formatting

Pull Request - State: closed - Opened by rcorrigan about 1 month ago

#295 - Vectorize H and dH methods

Pull Request - State: closed - Opened by mewall 8 months ago

#294 - Two-level model example generates a STOP

Issue - State: open - Opened by finkeljos 9 months ago

#293 - Performance improvement in response calc

Pull Request - State: closed - Opened by mewall 10 months ago

#292 - add topic `electronic-structure` in About section

Issue - State: open - Opened by Beliavsky 10 months ago

#291 - Fixes to have GPMD as a lib

Pull Request - State: closed - Opened by cnegre 10 months ago

#290 - Ewald memory

Pull Request - State: closed - Opened by mewall 10 months ago

#289 - Code optimizations

Pull Request - State: closed - Opened by mewall 10 months ago

#288 - Fix bug in graph mod

Pull Request - State: closed - Opened by mewall 11 months ago

#287 - Apply gnu specific flag only when gnu compiler

Pull Request - State: closed - Opened by jeanlucf22 about 1 year ago

#286 - Fix number of columns in 3d bio benchmark

Pull Request - State: closed - Opened by jeanlucf22 about 1 year ago

#285 - Make C-interface a build time option

Pull Request - State: closed - Opened by jeanlucf22 about 1 year ago

#284 - Use matrix sparsity in 3d bio benchmark

Pull Request - State: closed - Opened by jeanlucf22 about 1 year ago

#283 - Modifications for Cray build

Pull Request - State: closed - Opened by mewall about 1 year ago - 2 comments

#282 - Add requirements.txt

Pull Request - State: closed - Opened by nicolasbock about 1 year ago - 4 comments

#281 - Fix a few things in 3d benchmark

Pull Request - State: closed - Opened by jeanlucf22 about 1 year ago

#280 - Add blank line

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

#279 - Add dmconstruction3d benchmark

Pull Request - State: closed - Opened by jeanlucf22 over 1 year ago - 3 comments

#278 - 3d synthetic Hamiltonian for benchmarking

Issue - State: open - Opened by jeanlucf22 over 1 year ago
Labels: enhancement

#277 - Add Python linter

Pull Request - State: open - Opened by nicolasbock over 1 year ago

#276 - C interface

Pull Request - State: closed - Opened by ares201005 over 1 year ago

#275 - Fix abs function

Pull Request - State: closed - Opened by jeanlucf22 over 1 year ago - 5 comments

#274 - Do not redefine release/debug compile flags

Pull Request - State: closed - Opened by jeanlucf22 over 1 year ago

#273 - Reduce auxilliary matrices in diagonalization

Pull Request - State: closed - Opened by jeanlucf22 over 1 year ago

#272 - Links not working in tutorial

Issue - State: closed - Opened by jeanlucf22 over 1 year ago - 1 comment

#271 - Clean up SP2 and benchmark

Pull Request - State: closed - Opened by jeanlucf22 over 1 year ago - 1 comment

#270 - Simplify cmake in tutorial

Pull Request - State: closed - Opened by jeanlucf22 over 1 year ago

#269 - modelham construction prints out matrix only when verbode>0

Pull Request - State: closed - Opened by jeanlucf22 over 1 year ago

#268 - Remove support for ellsort format

Pull Request - State: closed - Opened by jeanlucf22 over 1 year ago

#267 - Documentation feedback

Issue - State: open - Opened by jeanlucf22 over 1 year ago
Labels: enhancement

#266 - Edits to support lanl31 params

Pull Request - State: closed - Opened by mewall over 1 year ago

#265 - Edits to enable GPU builds of gpmd

Pull Request - State: closed - Opened by mewall over 1 year ago

#264 - Fix formatting of references

Pull Request - State: closed - Opened by nicolasbock over 1 year ago

#263 - Tut

Pull Request - State: closed - Opened by cnegre over 1 year ago

#262 - C interface for progress functions

Pull Request - State: closed - Opened by ares201005 over 1 year ago - 4 comments

#261 - Fix memory leak in prg_twolevel_model symmetrization

Pull Request - State: closed - Opened by mewall over 1 year ago - 1 comment

#260 - C interface for density matrix module

Pull Request - State: closed - Opened by ares201005 over 1 year ago - 1 comment

#259 - C-interface (Please comment, DON'T MERGE)

Pull Request - State: closed - Opened by ares201005 over 1 year ago

#258 - Minor Cray compiler bug fixes

Pull Request - State: closed - Opened by mewall almost 2 years ago - 3 comments

#257 - Remove STRINGIFY_END marco which is not compatible with the cray comp…

Pull Request - State: closed - Opened by ares201005 almost 2 years ago

#256 - PR #251 breaks Cray compiler build

Issue - State: closed - Opened by mewall almost 2 years ago - 1 comment

#255 - Update graphsolver benchmark

Pull Request - State: closed - Opened by ares201005 almost 2 years ago

#254 - Calling qmd-progress from C code

Issue - State: closed - Opened by jeanlucf22 almost 2 years ago - 9 comments

#253 - Add option of repeating loops in dmconstruction

Pull Request - State: closed - Opened by jeanlucf22 almost 2 years ago

#252 - Clean up build with BML prefix

Pull Request - State: closed - Opened by jeanlucf22 almost 2 years ago

#251 - Print progress and bml version numbers

Pull Request - State: closed - Opened by ares201005 almost 2 years ago

#250 - Setting CMAKE_PREFIX_PATH

Issue - State: open - Opened by jeanlucf22 almost 2 years ago - 3 comments

#249 - Repeat calls in dmconstruction to ensure reliable timings

Pull Request - State: closed - Opened by jeanlucf22 almost 2 years ago

#248 - Add badge for Docker image

Pull Request - State: closed - Opened by nicolasbock about 2 years ago

#247 - Switch `latest` Docker image to Focal

Pull Request - State: closed - Opened by nicolasbock about 2 years ago

#246 - Upgrade docker login action

Pull Request - State: closed - Opened by nicolasbock about 2 years ago

#245 - Update CI image to 20.04

Pull Request - State: closed - Opened by nicolasbock about 2 years ago

#244 - Debug magma on crusher

Pull Request - State: closed - Opened by mewall about 2 years ago - 6 comments

#243 - Warm-up GPU before performance measurements

Issue - State: closed - Opened by jeanlucf22 about 2 years ago - 1 comment
Labels: enhancement

#242 - spack install

Issue - State: closed - Opened by jeanlucf22 about 2 years ago - 1 comment
Labels: build

#241 - Add dmconstruction executable to install

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

#240 - Use of 'deprecated' in PROGRESS routines

Issue - State: open - Opened by jeanlucf22 over 2 years ago

#239 - Fixed pdb files from example

Pull Request - State: closed - Opened by cnegre over 2 years ago

#238 - Removed unused BML_OMP variable

Pull Request - State: closed - Opened by cnegre over 2 years ago

#237 - Avoid set_row() in dmconstruction benchmark

Issue - State: open - Opened by jeanlucf22 over 2 years ago
Labels: enhancement

#236 - Modifications to enable offload build on crusher

Pull Request - State: closed - Opened by mewall over 2 years ago

#235 - fixed bugs

Pull Request - State: closed - Opened by cnegre over 2 years ago

#234 - Bes kernel

Pull Request - State: closed - Opened by cnegre over 2 years ago

#233 - Added scripts for building

Pull Request - State: closed - Opened by cnegre over 2 years ago

#232 - Add the update of chemical potential for graphsolver

Pull Request - State: closed - Opened by ares201005 almost 3 years ago

#231 - Actualizing benchmark bio pr

Pull Request - State: closed - Opened by cnegre almost 3 years ago

#230 - sp2tc

Pull Request - State: closed - Opened by finkeljos almost 3 years ago - 1 comment

#229 - Tcsp2

Pull Request - State: closed - Opened by finkeljos almost 3 years ago - 4 comments

#228 - Added BLAS_VENDOR

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

#227 - Benchmark bio

Pull Request - State: closed - Opened by cnegre almost 3 years ago

#226 - Added zmat construction via graph solver and other routines

Pull Request - State: closed - Opened by cnegre almost 3 years ago - 1 comment

#225 - Add prg_graphsolver_mod into the CMakelist; fix the indent in prg_graphsolver_mod

Pull Request - State: closed - Opened by ares201005 almost 3 years ago - 2 comments

#223 - Add graphsolver for density matrix

Pull Request - State: closed - Opened by ares201005 almost 3 years ago - 2 comments

#222 - Fix bug in fermi function: Floating-point exception in debug mode

Pull Request - State: closed - Opened by ares201005 almost 3 years ago - 3 comments

#221 - Fix bug in fermi function: Floating-point exception in debug mode

Pull Request - State: closed - Opened by roitberg almost 3 years ago - 1 comment

#220 - Add pre-command to test suite runs

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

#219 - Append BML libraries twice to link line

Pull Request - State: closed - Opened by jeanlucf22 almost 3 years ago - 2 comments

#218 - Add scripts and modify CMakelists.txt to build on spock and crusher

Pull Request - State: closed - Opened by mewall almost 3 years ago - 4 comments

#217 - Installing with BML and Scalapack

Issue - State: closed - Opened by jeanlucf22 about 3 years ago - 1 comment
Labels: build

#216 - New kernel for XL-BOMD and fix bug in response_orig

Pull Request - State: closed - Opened by ares201005 about 3 years ago - 2 comments

#215 - Convert to `readthedocs`

Pull Request - State: closed - Opened by nicolasbock about 3 years ago - 2 comments

#214 - Fix `BLAS_VENDOR` in CI

Pull Request - State: closed - Opened by nicolasbock about 3 years ago

#213 - Compiler

Pull Request - State: closed - Opened by nicolasbock about 3 years ago

#212 - Add `gcc-11` CI test

Issue - State: open - Opened by nicolasbock about 3 years ago

#211 - Update deprecated `MAINTAINER` instruction

Pull Request - State: closed - Opened by nicolasbock about 3 years ago

#210 - Sparse kernel for XLBO-MD

Pull Request - State: closed - Opened by linneamk about 3 years ago

#209 - Adapt to use bml distributed2d matrices

Pull Request - State: closed - Opened by jeanlucf22 about 3 years ago - 1 comment

#208 - Fix linter issue

Pull Request - State: closed - Opened by nicolasbock over 3 years ago

#207 - Add option to build benchmarks in build script

Pull Request - State: closed - Opened by jeanlucf22 over 3 years ago

#206 - Does not compile with gcc 11.0.0 (due to compiler error)

Issue - State: open - Opened by ghbrown over 3 years ago - 7 comments

#205 - Added benchmark for graphBased method

Pull Request - State: closed - Opened by cnegre over 3 years ago

#204 - Added benchmarks

Pull Request - State: closed - Opened by cnegre over 3 years ago

#203 - Update status badges

Pull Request - State: closed - Opened by nicolasbock over 3 years ago

#202 - Do not fail fast in CI

Pull Request - State: closed - Opened by nicolasbock over 3 years ago

#201 - Move tests to scripts

Pull Request - State: closed - Opened by nicolasbock over 3 years ago - 1 comment

#200 - Print bml version for easier debugging

Pull Request - State: closed - Opened by nicolasbock over 3 years ago

#199 - Add `repository_dispatch` event

Pull Request - State: closed - Opened by nicolasbock over 3 years ago

#198 - Mgenz

Pull Request - State: closed - Opened by cnegre over 3 years ago - 4 comments