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Commits on Feb 6, 2023

• Bind MPI wrapper routines to the corresponding MPI data type

  

  Frederick Stein

  authored and

  fstein93

  committed
  5c1b4f8

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Commits on Jan 1, 2023

• update to 2023

  oschuett

  committed
  86b6673

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Commits on Dec 14, 2022

• Refactor communicator handle, works with sdbg

  

  Frederick Stein

  authored and

  fstein93

  committed
  a835182

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Commits on Nov 6, 2022

• precommit: Switch from markdownlint to mdformat

  oschuett

  committed
  786bc82

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Commits on Nov 4, 2022

• Refactoring (cp2k#2382)

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  fstein93

  authored
  e58a972

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Commits on Oct 14, 2022

• Stop using OpenMP in .cu files to accommodate HIP

  oschuett

  committed
  1f91672

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Commits on Sep 27, 2022

• Make address sanitizer happy

  oschuett

  committed
  df0696d

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Commits on Jun 19, 2022

• DBM: Add statistics about block multiplications

  oschuett

  committed
  982fd8e

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Commits on May 22, 2022

• Replace clock_gettime() with omp_get_wtime()

  oschuett

  committed
  88f495e

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Commits on May 11, 2022

• precommit: Upgrade to Ubuntu 22.04

  oschuett

  committed
  895ec07

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Commits on May 4, 2022

• MP2: Release SPLA memory and always use generic integrate/collocate for distributed grids

  mtaillefumier

  authored
  493e0c1

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Commits on Apr 28, 2022

• Fix HIP on CUDA build

  oschuett

  committed
  57db85b

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Commits on Apr 25, 2022

• Build CUDA and HIP with -Wall -Wextra -Werror

  oschuett

  committed
  6872f7d

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Commits on Mar 29, 2022

• Remove unnecessary MARK_USED macros (cp2k#2038)

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  fstein93

  authored
  8579f4e

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Commits on Mar 28, 2022

• Offload: Move includes to fix __OFFLOAD

  oschuett

  committed
  94f77d7

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• Migrate to centralized __OFFLOAD_CUDA/HIP flags

  oschuett

  committed
  0384af6

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Commits on Mar 21, 2022

• grid: Make GPU backend also available for HIP

  oschuett

  committed
  2efd1c6

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• grid: Migrate GPU backend to offload_runtime.h

  oschuett

  committed
  a8ecf2a

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Commits on Mar 20, 2022

• Makefile: Use .cu extension also for HIP kernels

  oschuett

  committed
  bd97964

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Commits on Mar 13, 2022

• Offload: Rename offload_set_device -> offload_activate_chosen_device

  oschuett

  committed
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• Offload: Rename offload_operations.h offload_runtime.h

  oschuett

  committed
  6a44e63

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Commits on Feb 17, 2022

• grid: Avoid name collision of C-bound procedures

  oschuett

  committed
  2052087

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Commits on Feb 7, 2022

• precommit: Add simple Makefile formatter

  oschuett

  committed
  e974820

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Commits on Jan 28, 2022

• Fix for fft performance regression

  

  Dr. Mathieu Taillefumier

  authored and

  oschuett

  committed
  21c490e

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• openmp compilation fix

  

  Dr. Mathieu Taillefumier

  authored and

  oschuett

  committed
  2124558

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Commits on Jan 24, 2022

• Issue cp2k#1889: revised PR cp2k#1879 (cp2k#1898)

  hfp

  authored
  22173ba

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Commits on Jan 21, 2022

• Fix typos

  

  e-kwsm

  authored and

  oschuett

  committed
  bcdfd7a

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• Add hip support for fft on gpu (generic interface)

  

  Dr. Mathieu Taillefumier

  authored and

  oschuett

  committed
  b39dffa

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Commits on Jan 18, 2022

• Fix compilation issue on summit

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  Dr. Mathieu Taillefumier

  authored and

  oschuett

  committed
  d37ae6e

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• Preparation for LIBXSMM 2.0 (cp2k#1879)

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  hfp

  authored
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Commits on Jan 11, 2022

• Use generic api for gpu to hide vendor specific api

  

  Dr. Mathieu Taillefumier

  authored and

  oschuett

  committed
  db04b14

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Commits on Jan 1, 2022

• update to 2022

  oschuett

  committed
  37ab475

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Commits on Nov 17, 2021

• Add analytical derivatives of MO coefficients wrt nuclear coordinates

  edditler

  authored
  67208ce

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Commits on Nov 10, 2021

• Prettify using fpretty 0.3.7

  oschuett

  committed
  d96e1b0

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Commits on Sep 15, 2021

• grid: Change license to BSD-3-Clause

  oschuett

  committed
  760f22d

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