shirshak55

#include <mpi.h>
#include <stdio.h>
// This file is on the Supercomputer edited locally

int main(int argc, char** argv) {
    // Initialize the MPI environment
    MPI_Init(NULL, NULL);

    // Get the number of processes
    int world_size;

shirshak55

#include <stdio.h>
#include <math.h>
#include <time.h>
#include <sys/time.h>
#include <stdint.h>

/* module load gcc */
/* Compile me with 'gcc -o cpi-serial cpi-serial.c' */

double f( double );

shirshak55

let unformatted_dates = [
"13 February 1996",
"January 2001",
"28 May 2001",
"1 June 2001",
"3 August 2001",
"23 November 2001",
"26 November 2001",
"May 2002",
"May 2002",

shirshak55

# remove crystalline water molecules
grep -v HOH 1ubq.pdb > 1ubq_clean.pdb

# load the required modules
module load gromacs/2018.8
module load gnuplot/5.2.8

# to run on gpu please load gromacs/2018.8-gpu module

# user response required to the following command, issue on head node

shirshak55

Keybase proof

I hereby claim:

• I am shirshak55 on github.
• I am shirshak55 (https://keybase.io/shirshak55) on keybase.
• I have a public key ASCEiIL0OMWyMYAFGvU-s3cgfOfEzBKuJIbaw4X1X2e9uQo

To claim this, I am signing this object:

shirshak55

#![cfg_attr(
    debug_assertions,
    allow(dead_code, unused_variables, unreachable_code, unused_must_use)
)]

use std::{collections::HashSet, io::BufRead, thread::current};

fn main() {
    let stdin = std::io::stdin();
    let lock = stdin.lock();