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Commits on Aug 5, 2022

• Bug fixes

  

  vitduck

  committed
  d8c7256

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Commits on Aug 2, 2022

• Fix SLURM_NODE_LIST parser

  

  vitduck

  committed
  1b2b744

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• Add singularity container download scripts

  

  vitduck

  committed
  4fcee0e

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Commits on Aug 1, 2022

• Split Stream class into original Stream and BabelStream

  

  vitduck

  committed
  ad175e8

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Commits on Jul 26, 2022

• Bump QE/GROMACS version to match NGC containers

  

  vitduck

  committed
  804a274

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Commits on Jul 9, 2022

• Bug fixes

  

  vitduck

  committed
  91e9b68

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Commits on Jul 7, 2022

• Minor bug fixes

  

  vitduck

  committed
  4e106de

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Commits on Jun 28, 2022

• Add NCCL backend for HCOLL

  

  vitduck

  committed
  1ae358f

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• Fix minor bugs with QE

  

  vitduck

  committed
  73f116e

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Commits on Jun 27, 2022

• Update logging routines

  

  vitduck

  committed
  6f9e68d

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Commits on May 24, 2022

• Re-enable SHARP for QE

  

  vitduck

  committed
  2e95073

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Commits on May 17, 2022

• Update STMV.tpr input files

  

  vitduck

  committed
  90edb9b

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• Update help messages, bug fixes

  

  vitduck

  committed
  2d3762d

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Commits on Apr 26, 2022

• Update test scripts

  

  vitduck

  committed
  b701fc9

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• Fix bug in HPL_AI

  

  vitduck

  committed
  7b44afb

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• Update HPL memory estimation

  

  vitduck

  committed
  9721428

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Commits on Apr 10, 2022

• Read thread/nstlist from GROMACS output

  

  vitduck

  committed
  2f4264b

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Commits on Apr 4, 2022

• Better handling of default ucx

  

  vitduck

  committed
  3b2b4d6

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Commits on Mar 30, 2022

• Allow GROMACS to continue if -tunepme fails

  

  vitduck

  committed
  c42d28a

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Commits on Mar 29, 2022

• Change logging format

  

  vitduck

  committed
  0c05272

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• Disable UCX/HCOLL for QE when __GPU_MPI is enabled

  

  vitduck

  committed
  015bc46

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Commits on Mar 28, 2022

• Disable hcoll by default for HPC-X

  

  vitduck

  committed
  5e03277

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Commits on Mar 27, 2022

• Add -gpu_id options to GROMACS

  

  vitduck

  committed
  adaa5a8

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• Update Gromacs class

  

  vitduck

  committed
  4e21c38

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Commits on Mar 26, 2022

• Fix bugs where debug message from SHARP was not printed to stderr

  

  vitduck

  committed
  b6016ea

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• Print --report-bindings to stderr

  

  vitduck

  committed
  b85a2b4

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• Fix missing --report-binding options

  

  vitduck

  committed
  e2fa6d5

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Commits on Mar 25, 2022

• Fix bugs in OpenMPI/OpenMP --map-by

  

  vitduck

  committed
  690ac07

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Commits on Mar 24, 2022

• Add work around for QE/6.8 when exit code 2 is returned

  

  vitduck

  committed
  6680067

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• Downgrade QE to 6.8 for AMD/A100

  

  vitduck

  committed
  50d23e2

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Commits on Mar 23, 2022

• Fix bug with QE(CPU)

  

  vitduck

  committed
  37614c4

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Commits on Mar 22, 2022

• Remove ssh usage

  

  vitduck

  committed
  5fd15ac

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Commits on Mar 21, 2022

• Staging ssh removal

  

  vitduck

  committed
  5549758

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Commits on Mar 14, 2022

• Fix bugs in QE's numactl

  

  vitduck

  committed
  6381512

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Commits on Mar 10, 2022

• Update QE class for CPU/GPU support

  

  vitduck

  committed
  38ea538

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