QuantumPackage/etc/local.rc

# Configuration specific to the local machine

# Maximum allowed memory per node
# export QP_MAXMEM=64

# Target number of threads for Davidson's algorithm (Hyperthreading is useful)
# export QP_NTHREADS_DAVIDSON=32

# Target number of threads for the computation of the PT2 (Hyperthreading is useful)
# export QP_NTHREADS_PT2=32

# Number of threads for MKL
# export MKL_NUM_THREADS=16

# Number of threads for OpenMP
# export OMP_NUM_THREADS=16

# Name of the network interface to be chosen
# export QP_NIC=ib0