alchem0x2A

#include <random>
#include <iostream>
 
int main()
{
    std::random_device device;
    /* Or use any number replace the device() */
    std::mt19937 generator(device());  
    std::uniform_int_distribution<int> distribution(1,6);
 

alchem0x2A

#include <algorithm>
#include <iostream>
#include <random>

int main() {
	std::mt19937_64 gen(42);
	std::uniform_real_distribution<double> uni(-10.0, 10.0);
	double *numbers = new double[20];
    /*use std::generate to fill the array pointer with lambda function*/
	std::generate(numbers, &numbers[20], 

alchem0x2A

#include <iostream>

// Return vector y = x * x
void manipulate(double *y, double *x, size_t n){
  /* x and y must be initialized! */
  std::cout << "Inside the function" << std::endl;
  std::cout << "Size of x?: " << 
            sizeof(x) << " " 
            << "Size of y?: " 
            <<sizeof(y) 

alchem0x2A

#include <iostream>
#include <cstring> //memcpy implemented here

// Copy pointer y from x
void copy_pointer(double *y, const double *x, size_t n){
  // The size in memcpy is byte length!
  std::memcpy(y, x, n * sizeof(double));
}

int main() {

alchem0x2A

#Generic script for submitting comsol job
#usage: sub_job.sh [COMSOL_IN_NAME] [optional:MEM]
INFILE=$1
OUTFILE=$(echo $INFILE | cut -f 1 -d ".")
OUTFILE+="_out.mph"

#Memory alloc
MEM=4096
if [ $# -ge 2 ]; then
        MEM=$2

alchem0x2A

Preparation

• Compiler: python/3.1.1 (shipped) gcc-6.3.0, open_mpi/3.0.0, libxc/4.3.0, fftw/3.3.3, openblas/0.2.13_seq, scalapack
• tar for numpy scipy matplotlib

Working on virtualenv

python -m venv gpaw
source ~/.virtualenv/gpaw/bin/activate

Alternatively, if you want to use the shipped =numpy= and =scipy= versions,

alchem0x2A

# Next time you need to install something with python setup.py -- which should be never but things happen. 

python setup.py install --record files.txt

# This will cause all the installed files to be printed to that directory.
# Then when you want to uninstall it simply run; be careful with the 'sudo'

cat files.txt | xargs sudo rm -rf

alchem0x2A

Preparation

• Compiler: intel/15.0, open_mpi/1.10.0, libxc/3.0.0, fftw/3.3.4, scalapack
• tar for numpy scipy matplotlib

Compile python with intel

Download the python tarball, untar and cd into the root directory.

./configure --prefix="abs/path/to/build" --with-icc CC=icc CXX=icpc

alchem0x2A

import os, os.path
import subprocess

def convert(in_name, out_name, delete=True):
    prog = "ffmpeg"
    params = ["-i", "{}".format(in_name),
              "-pix_fmt", "yuv420p",
              "-vcodec", "libx264",
              "{}".format(out_name)]
    res = subprocess.call([prog, *params])

alchem0x2A

#!/bin/sh

# Provide a wrapper of emacsclient that automatically opens up Emacs or server

function ec_wrapper {
    GREEN='\033[0;32m'
    NC='\033[0m'
    buffers=$@
    cmd="emacsclient -nqc"
    # Excecute command