Issues

• Compile fail after commit b49f3c2

  USCCACS/RXMD#61 · Filter by author colleeneb opened on May 4, 2026

• write PQEq+ demo page

  USCCACS/RXMD#33 · Filter by author KenichiNomura opened on Aug 7, 2018

• PQEq_SC currently not support OpenMP threading

  USCCACS/RXMD#31 · Filter by author manaschai opened on Mar 28, 2018

• Using MPI_SendRecv instead of parity send/recv

  enhancement
  USCCACS/RXMD#28 · Filter by author manaschai opened on Feb 12, 2018

• revive the conjugate gradient routine

  USCCACS/RXMD#26 · Filter by author KenichiNomura opened on Jul 25, 2017

• AST analysis with LLVM

  USCCACS/RXMD#25 · Filter by author KenichiNomura opened on Jul 25, 2017
  

• Modularize the code

  USCCACS/RXMD#23 · Filter by author KenichiNomura opened on Jul 6, 2017
  1

• Implement scalable multithreading

  USCCACS/RXMD#22 · Filter by author KenichiNomura opened on Jul 3, 2017
  1

• Remove atomic add

  enhancementexploratory
  USCCACS/RXMD#21 · Filter by author sctiwari opened on May 27, 2017
  4

• 1 microsec simulation (on single node)

  exploratory
  USCCACS/RXMD#18 · Filter by author KenichiNomura opened on Apr 21, 2017

• rewrite the code into C++

  enhancementexploratory
  USCCACS/RXMD#17 · Filter by author KenichiNomura opened on Apr 21, 2017
  1

• add the connected-component analysis code to the repo

  enhancement
  USCCACS/RXMD#14 · Filter by author KenichiNomura opened on Mar 12, 2017

• multithreading MPI-I/O

  enhancement
  USCCACS/RXMD#13 · Filter by author KenichiNomura opened on Mar 12, 2017

• try Fortran Memkind library

  exploratory
  USCCACS/RXMD#11 · Filter by author KenichiNomura opened on Dec 30, 2016

• test the extended Lagrangian method against QEq

  enhancementexploratory
  USCCACS/RXMD#10 · Filter by author KenichiNomura opened on Dec 30, 2016
  1

• Implement preconditioning for QEq

  enhancement
  USCCACS/RXMD#9 · Filter by author KenichiNomura opened on Dec 30, 2016

• write multi-bondlist analysis code

  enhancement
  USCCACS/RXMD#7 · Filter by author KenichiNomura opened on Dec 30, 2016

• SIMDizing the neighborlist traversals in the force calculation

  enhancementexploratory
  USCCACS/RXMD#6 · Filter by author KenichiNomura opened on Dec 30, 2016