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quantum_package/etc/local.rc

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# Configuration specific to the local machine
# Maximum allowed memory per node
# export QP_MAXMEM=64
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# Target number of threads for Davidson's algorithm (Hyperthreading is useful)
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# export QP_NTHREADS_DAVIDSON=32
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# Target number of threads for the computation of the PT2 (Hyperthreading is useful)
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# export QP_NTHREADS_PT2=32
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# Number of threads for MKL
# exort MKL_NUM_THREADS=16
# Number of threads for OpenMP
# exort OMP_NUM_THREADS=16
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# Name of the network interface to be chosen
# export QP_NIC=ib0