alvarovm

Mace installation on ANL's Swing as of 1/30/24

Check resources available on Swing: NVIDIA A100 GPUs (8 GPUs per node) - 1/8 node allocated when requesting 1 gpu

MACE requires Pytorch2, which needs CUDA 11.8 or 11.7. Check required CUDA versions here

Install Torch and Cuda

Create a Conda environment with Python 3.10

conda create -n "CUDA-torch-base" python=3.10.0

rayhe88

 &CONTROL
    prefix = 'C_bulk_pbe'
    calculation = 'vc-relax'
    verbosity = 'high'
    tstress=.true.
    pseudo_dir = '/lus/eagle/projects/catalysis_aesp/raymundohe/espresso/pseudo',
    forc_conv_thr = 1e-4,
 /

 &SYSTEM

Krazybug

What is it ?

CALISHOT is a specialised search engine to unearth books on open calibre servers.

It allows you to search ebooks in full text across them or to browse the database by facets: authors, language, year, series, tags ... You can even run your own queries in SQL.

Where is this ?

These servers are often up and down so, for now, the data are regularly updated and new snasphots are posted on ...

feedsbrain

#!/bin/bash
# Taken from: https://red-full-moon.com/make-hevc-qsv-env-first-half/

# 環境の最新化
sudo apt update
sudo apt dist-upgrade
# 必要パッケージのインストール
sudo apt install cmake make autoconf automake libtool g++ bison libpcre3-dev pkg-config libtool libdrm-dev xorg xorg-dev openbox libx11-dev libgl1-mesa-glx libgl1-mesa-dev libpciaccess-dev libfdk-aac-dev libvorbis-dev libvpx-dev libx264-dev libx265-dev ocl-icd-opencl-dev pkg-config yasm libx11-xcb-dev libxcb-dri3-dev libxcb-present-dev libva-dev libmfx-dev intel-media-va-driver-non-free opencl-clhpp-headers

# libvaのインストール

alibo

rmcgibbo

/*
 * An efficient MPI parallel reduction without MPI_Scan or MPI_Reduce. (i.e. 
 * only send/recv). 
 *
 * TERMS AND CONDITIONS FOR COPYING, DISTRIBUTION AND MODIFICATION 
 *   0. You just DO WHAT THE FUCK YOU WANT TO.
 */ 
#include <mpi.h>
#include <cstdio>
#include <vector>