SpakowitzLab / MCparallelMPI

MC simulation of WLC with Methylation and Coupling via field interaction
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Basic info

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Authors: Andrew Spakowitz (wrote initial code for wlc) Shifan Mao (Improved MC setup) Quinn MacPherson (Improved MC setup and MPI paralleization) spring 2016 Contact: qmac@stanford.edu

Code diagram: https://drive.google.com/file/d/0B9VKZRfyscD5WGhqWkFabUhmWWs/view?usp=sharing

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Example running script

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/bin/bash

sleep 30

echo "Compile"

cd code

compile with mpi's fortran compiler

mpifort -fbounds-check -O3 mersenne_twister.o SIMcode/ DATAcode/ MCcode/ -o MCparrll_out cd .. mv code/MCparrll_out . mv data/ trash/

echo "Now run"

now run the output

--prefix used to avoid changing path

mpirun --prefix ~/openmpi/ -np 40 MCparrll_out

cd code

gfortran -O3 -fbounds-check -o wlcsim SIMcode/ BDcode/ DATAcode/ MCcode/

cd ..

mv code/wlcsim .

mv data/* trash/.

./wlcsim

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How to make job non-interactive

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Start the job interactively

./runwlcsim # example script

While sleeping and before it splits to many threads

[ctrl] z disown -h %1 # or a different number bg 1 logout

jobs # show jobs top # show computer use

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Installing MPI on tower

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Downloaded mpi to laptop

Tranfered to my home dir

install

tar -zxvf openmpi...tar.gz ./configure --prefix=/usr/local sudo make all install

add to path

vi ~/.bash_profile PATH=$PATH:/usr/local/bin export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/lib alis ls='ls --color'