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== Important notes == '''Memory Usage''' - The total memory per node must be restricted to the amounts of physical memory on a node. Hence, in Infi, we have to use not more than 2Gb per job. '''IAC Binaries''' - On IAC, there are many versions of the 4.7 binary available (v5.0 doesn't work at all)... 1.) '''Recommended''' (/gpfs/apps/NWCHEM/bin/LINUX64_POWERPC/nwchem) 2.) '''Memory''' (/gpfs/apps/NWCHEM/bin/LINUX64_POWERPC/nwchem-mem) If jobs will require lots of memory (frequencies on 600+ basis function systems), the nwchem-mem binary is 3-6 times faster.
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