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https://github.com/LCPQ/quantum_package
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16 lines
344 B
Plaintext
16 lines
344 B
Plaintext
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# Configuration specific to the local machine
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# Maximum allowed memory per node
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# export QP_MAXMEM=64
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# Target number of threads for Davidson's algorithm
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# export QP_NTHREADS_DAVIDSON=32
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# Target number of threads for the computation of the PT2
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# export QP_NTHREADS_PT2=32
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# Name of the network interface to be chosen
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# export QP_NIC=ib0
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