compilation problem with nwchem-rev26871.2015-02-24


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Quote:Twk Dec 9th 6:12 am
After playing around with the settings a bit it seems the error arose because I set the OpenMP flag in BLASOPT, which is not invoked when compiling ccsd_t_kernels_omp.F. It seems the correct approach is to use the option USE_OPENMP=y, which adds -qopenmp to the general compilation flags, and then it compiles without problems.



Yes, that's the most appropriate way to use OpenMP constructs in NWChem