BP&P 4.4.1

Basic information

  • Official Website: https://github.com/bpp/bpp/
  • License: GNU GENERAL PUBLIC LICENSE Version 3
  • Installed on: Apolo II
  • Installation date: 15/03/2022

Tested on (Requirements)

  • OS base: Rocky Linux 8.5 (x86_64) \(\boldsymbol{\ge}\)
  • Dependencies:
    • Intel oneAPI 2022 update 1 (Intel C Compiler)

Installation

  1. Download the desired version of the software.

    cd /home/blopezp/Modulos
git clone https://github.com/bpp/bpp.git

  2. Manual compilation procedure.

    cd bpp-4.4.1/src/
module load intel/2022_oneAPI-update1
make

  3. After compiling BP&P, continue with the following steps:

    sudo mkdir /share/apps/bpp/4.4.1/Intel_oneAPI-2022_update-1/bin -p
sudo cp src/bpp /share/apps/bpp/4.4.1/Intel_oneAPI-2022_update-1/bin

Module

#%Module1.0#####################################################################
##
## module bpp/4.4.1_Intel_oneAPI-2022_update-1
##
## /share/apps/bpp/4.4.1/Intel_oneAPI-2022_update-1     Written by Bryan Lopez Parra
##

proc ModulesHelp { } {
    puts stderr "\tbpp/4.4.1_intel-2022_update-1 sets the Environment for Bpp in \
    \n\tthe share directory /share/apps/bpp/4.4.1/Intel_oneAPI-2022_update-1\n"
}

module-whatis "\n\n\tSets the environment for using Bpp 4.4.1 \
            \n\tbuilded with Intel oneAPI 2022 update 1\n"

# for Tcl script use only
set       topdir     /share/apps/bpp/4.4.1/Intel_oneAPI-2022_update-1
set       version    4.4.1
set       sys        x86_64-redhat-linux

module load intel/2022_oneAPI-update1

prepend-path PATH    $topdir/bin

Slurm template

#!/bin/bash
#SBATCH --partition=longjobs
#SBATCH --nodes=1
#SBATCH --ntasks=1
#SBATCH --time=14-00:00:00
#SBATCH --job-name=A10_All_L-D
#SBATCH -o result_%x_%j.out      # File to which STDOUT will be written
#SBATCH -e result_%x_%j.err      # File to which STDERR will be written
#SBATCH --mail-type=ALL
#SBATCH --mail-user=blopezp@eafit.edu.co

module load bpp/4.4.1_Intel_oneAPI-2022_update-1

bpp --cfile A10_All_L-D.ctl