Svn co svn:///lammps-ro/trunk 20130813 cd 20130813Ĭreate a custom Makefile for the WFU DEAC Cluster and the modules loaded above:Ĭd src/MAKE cp Makefile.g++ ac_g++ Note: This build will leverage the BLAS and LAPACK libraries provided by Red Hat (likely, unoptimized) found in the RPMs:ĭownload the software (20130813 is the date and the directory the files are copied to): Module load openmpi/1.6-gnu module load libs/fftw-2.1.5/gnu
Please try this build first before attempting more complicated compilers and library combinations.Įnsure you have a clean shell environment: Rolling patches and updates are released constantly.īuilding software Documentation on building LAMMPS packages Documentation on the actual LAMMPS packages Tutorials GNU gcc/g++ Build Guidelines Build Note Please be aware that the GNU based build is probably the simplest to work through.
Note: Versioning is by date based timestamp.General Information Main Web Page Downloading the software svn co svn:///lammps-ro/trunk mylammps Don't forget to copy these directories to your own directory first!.SLURM scripts are not provided but should easily be adapted from the ICME Tutorial above. Don't forget to customize the job script for your fairshare group!Ī second test job, which exercises the JPEG library, can be found in the following directories.With this build you can test your build with the input files and SLURM job script found on the cluster at: Module load lammps/20130813/gnu Documentation Authors Website Users Manual Tutorials Example Job To prepare your environment, load the environment module:.FFTW : The FFTW2 libraries on the cluster will be used for all FFT support in LAMMPS.MPI : Unless otherwise noted, the MPI implementation used for all the LAMMPS builds will be OpenMPI 1.6.lammps/latest-intel-2012 (LAMMPS code checkout around March 2012).7.1 Intel-2017 icc/ifort build guidline.
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