Monthly Archives: September 2016

Notes on installing AMBER14 at Cray XC40

1. Extract files cd /home/myname tar xvfj AmberTools14.tar.bz2 (Note: extracts in an “amber14” directory) tar xvfj Amber14.tar.bz2 2. Set environment setenv AMBERHOME /home/myname/amber14 (csh) cd $AMBERHOME run twice ./update_amber –update 3. install serial version module swap PrgEnv-cray PrgEnv-gnu ./configure gnu … Continue reading

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