NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.

Versions:6.6.0 with gcc/5.4.0 openmpi/1.10.2; 6.8.0 with gcc/7.2.0 openmpi/3.0.0

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