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SpakowitzLab/MCparallelMPI
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#------------------------------------------------------------------------------------- # # Basic info # #------------------------------------------------------------------------------------- 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 #--------------------------------------------------------------------------------------- # # Example running script # #------------------------------------------------------------------------------------------ #/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 # ----------------------------------------------------------------------------------- # # How to make job non-interactive # # ---------------------------------------------------------------------------------- # 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 # ------------------------------------------------------------------------------------ # # Installing MPI on tower # # ------------------------------------------------------------------------------------ #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'
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MC simulation of WLC with Methylation and Coupling via field interaction
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