QMCPACK / miniqmc

QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experiments

QMCPACK/miniqmc Issues

[kokkos] Static assertion failure at build time on Summit
Updated 2 years ago2
Support the new Intel compiler (icpx)
Updated 2 years ago
Explanation of OMP Code in `einspline_spo_omp.cpp`
Closed 3 years ago1
Known working combinations of gcc/cuda or llvm/cuda
Closed 3 years ago22
Building without OpenMP fails on test_ParallelBlock.cpp
Closed 4 years ago3
Using miniqmc for 128 core MPI test gives output 128 times - expected behaviour?
Closed 4 years ago3
Extracting StandAlone kernel
Updated 4 years ago14
Port delayed update algorithms
Updated 5 years ago1
Need batched evaluation of NLPP
Closed 5 years ago11
How to handle asynchronous computation
Updated 5 years ago4
Goals for next version of miniapp
Updated 5 years ago6
check_determinant sensitive to error
Closed 5 years ago1
Develop should represent concensus and not a particular developers branch. #228 should not have been merged.
Closed 5 years ago35
Need CUDA infastructure
Updated 5 years ago
Rename mover to walker
Updated 5 years ago9
Add a basic MPI
Closed 5 years ago1
Clean up C++11 guards
Closed 5 years ago
Add ctest to miniQMC
Updated 5 years ago1
[global_batched_kokkos] Kokkos build failure
Updated 5 years ago6
Kokkos: Employ Kokkos::Kernels Wherever Possible
Updated 5 years ago1
Kokkos: Mock Construction/Population of Determinant
Closed 5 years ago1
Kokkos: Batched Walker Moves
Closed 5 years ago1
Merge makeMoveAndCheck and makeMoveOnSphere?
Closed 5 years ago
Update rhea CI
Closed 5 years ago1
Clang7/CUDA 9.2 team_v_serial_t and team_v_parallel_t both evaluate to HostThreadTeamMember when
Updated 6 years ago
Kokkos: Clang7/CUDA 9.2 has issues with function declarations and defnitions involving KOKKOS_INLINE_FUNCTION
Closed 6 years ago4
Kokkos: Need CI Testing.
Updated 6 years ago
miniqmc input that's representative of QMCPack
Updated 6 years ago4
Reduce default steps?
Closed 6 years ago2
kokkos branch will not build on mac laptop
Closed 6 years ago2
kokkos branch - compile time error in einspline_spo
Closed 6 years ago1
kokkos branch will not compile with a pre-installed kokkos library
Updated 6 years ago
IBM XL 16.1 not supported by cmake 3.11
Closed 6 years ago1
Rename WaveFunctionComponentBase to WaveFunctionComponent?
Closed 6 years ago4
Separate the reference implemenation of einspline_spo as einspline_spo_ref
Closed 6 years ago3
Better testing of miniqmc
Updated 6 years ago4
Add a walker loop in drivers
Closed 6 years ago
Put spline grid and coefficient information into MultiBspline
Updated 6 years ago2
Remove loop over blocks of splines?
Updated 6 years ago4
Change Type of SplineDerivs in Jastrow/BsplineFunctor.h
Closed 6 years ago6
Re-enable hierachy timer
Closed 6 years ago
Port the improved MKL detection from QMCPACK
Closed 6 years ago
Need meshfactor command line option
Closed 6 years ago
Expand size range of simulated NiO systems
Closed 7 years ago4
Use test coverage to prune source code
Closed 7 years ago16
Global Arrays (GA) in QMCPACK
Updated 7 years ago5
Implement "v2" algorithm in spline kernel within the kokkos implementation
Updated 7 years ago
hookup qmcpack_version.h functionality
Closed 7 years ago2
Make repo public
Closed 7 years ago6
proposal to remove legacy openmp
Closed 7 years ago7