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Add GPU aware MPI support in cannon algorithm (#647)
Add GPU aware MPI support in cannon algorithm with norms calculation in GPU
1 parent 14105ed commit 2af40bb

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+1494
-53
lines changed

30 files changed

+1494
-53
lines changed

‎.github/workflows/doc-generation.yml‎

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- "/etc/ssh/ssh_known_hosts:/etc/ssh/ssh_known_hosts:ro"
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steps:
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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with:
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fetch-depth: 0
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submodules: true

‎.github/workflows/docker-build-env.yml‎

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steps:
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- name: Checkout Repository
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uses: actions/checkout@v3
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uses: actions/checkout@v4
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- name: Prepare
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id: prep

‎.github/workflows/release.yml‎

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image: ghcr.io/cp2k/dbcsr-build-env-ubuntu-22.04:develop
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steps:
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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with:
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submodules: true
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‎.github/workflows/testing-gcc.yml‎

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image: ghcr.io/cp2k/dbcsr-build-env-latest-gcc:develop
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steps:
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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with:
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fetch-depth: 0
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submodules: true

‎.github/workflows/testing-linux.yml‎

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container:
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image: ghcr.io/cp2k/dbcsr-build-env-ubuntu-22.04:develop
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steps:
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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- name: Run pre-commit
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run: |
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git config --global --add safe.directory "$GITHUB_WORKSPACE"
@@ -40,7 +40,7 @@ jobs:
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mpi_suffix: mpich
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steps:
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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with:
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fetch-depth: 0
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submodules: true
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use_openmp: [OPENMP=ON]
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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with:
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fetch-depth: 0
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submodules: true
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use_smm: [SMM=libxsmm]
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steps:
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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with:
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fetch-depth: 0
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submodules: true
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strategy:
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matrix:
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use_openmp: [OPENMP=ON]
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use_g2g: [G2G=ON, G2G=OFF]
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steps:
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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fetch-depth: 0
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submodules: true
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mkdir -p build
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cd build
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cmake -G Ninja \
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-DCMAKE_BUILD_TYPE=Debug \
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-DCMAKE_BUILD_TYPE=Release \
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-DUSE_${{ matrix.use_openmp }} \
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-DUSE_ACCEL=hip \
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-DWITH_GPU=Mi100 \
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-DWITH_GPU=Mi250 \
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-DWITH_${{ matrix.use_g2g }} \
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-DWITH_EXAMPLES=ON \
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-DCMAKE_PREFIX_PATH=/opt/rocm \
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..
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image: ghcr.io/cp2k/dbcsr-build-env-ubuntu-22.04:develop
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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- name: Download coverage data
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uses: actions/download-artifact@v3

‎.github/workflows/testing-macos.yml‎

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mpi_suffix: mpich
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- uses: actions/checkout@v3
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- uses: actions/checkout@v4
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fetch-depth: 0
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submodules: true

‎.pre-commit/check_header.py‎

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import re
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import mmap
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import sys
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from os import path
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import pathlib
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from collections import defaultdict
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from os import path, listdir
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from contextlib import contextmanager
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TYPES = {
@@ -41,14 +43,19 @@ def mmap_open(name, mode="r"):
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def check_header(header_dir, files, verbose=False):
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retval = 0
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header_re = {}
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header_len = {}
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for headertype in TYPES:
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with open(path.join(header_dir, headertype), "rb") as fhandle:
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header_content = fhandle.read()
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header_re[headertype] = re.compile(re.escape(header_content))
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header_len[headertype] = len(header_content)
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header_re = defaultdict(list)
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header_len = defaultdict(list)
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for headerfile in listdir(header_dir):
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headertype = pathlib.Path(headerfile).stem
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if headertype in TYPES:
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with open(path.join(header_dir, headerfile), "rb") as fhandle:
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header_content = fhandle.read()
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header_re[headertype].append(re.compile(re.escape(header_content)))
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header_len[headertype].append(len(header_content))
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else:
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print("no matching headerfile to file extensions")
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sys.exit(1)
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ext_map = {e: t for t, exts in TYPES.items() for e in exts}
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with mmap_open(fpath) as fmapped:
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header_type = ext_map[fext]
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match = header_re[header_type].search(
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fmapped, 0, ALLOWED_LINES * MAX_LINE_LENGTH + header_len[header_type]
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)
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for h_re, h_len in zip(header_re[header_type], header_len[header_type]):
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match = h_re.search(fmapped, 0, ALLOWED_LINES * MAX_LINE_LENGTH + h_len)
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if match:
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break
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if not match:
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print("✗ {} ... required header not found".format(fpath))

.pre-commit/headers/c_cpp renamed to .pre-commit/headers/c_cpp.1

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‎.pre-commit/headers/c_cpp.2‎

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/*------------------------------------------------------------------------------------------------*/
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/* Copyright (C) by the DBCSR developers group - All rights reserved */
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/* Copyright (C) 2022 Advanced Micro Devices, Inc. - All rights reserved */
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/* This file is part of the DBCSR library. */
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/* */
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/* For information on the license, see the LICENSE file. */
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/* For further information please visit https://dbcsr.cp2k.org */
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/* SPDX-License-Identifier: GPL-2.0+ */
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/*------------------------------------------------------------------------------------------------*/

.pre-commit/headers/fortran renamed to .pre-commit/headers/fortran.1

File renamed without changes.

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