NWChem Efficiency


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I tried setting FC=ifort and CC=icc but I would get errors when compiling stating that certain libraries could not be found. I also tried compiling with MPI-SPAWN. It compiled but I had problems running it. It would run on 1 node fine but not on multiple nodes. When executing on multiple nodes nothing would write to the output file; however, the job seemed to be running on all the nodes (verified by using the top commend).