Table of Contents
Recommendations
Recommendations for various codes
Recommendations for advanced users
Recommendations
Recommendations for various codes
VASP
ANTARES
bug in GLX
WIEN2k
MPI-Helium
WRFV3
Gaussian09
Sequential codes
Recommendations for advanced users
fft
libraries
large
jobs with more than 1024 cores
memory
intensive jobs requiring more than 2
GB
per core
ScaLAPACK
compile options
NWChem
Linking to BLAS Libraries
user defined
prolog and epilog
scripts