mirror of https://github.com/QMCPACK/qmcpack.git
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gr3x3x1 | ||
gr3x3x1_adios | ||
gr4x4x1 | ||
gr4x4x1_adios | ||
gr4x4x2 | ||
gr4x4x2_adios | ||
hydrogen | ||
water | ||
README | ||
getfiles.sh | ||
submit.pbs |
README
Each directory contains the input files and README. Setting up the benchmarks: getfiles.sh 1. Obtain data and input files 2. Copy or create symbolic links to the downloaded files in each example directory. Before running 1. Prepare a batch or run script to modify qmc.xml file according to the instructions in README After running 1. Compare results in ref.analysis.out