Hello Huub,
Thanks for helping! I have added the flags the script to include the info about openmpi_intel/include:
and got it compiled.. BUT -
I can not run the code. When I try to run it mpirun nwchem Carbene.nw it says:
Unable to open nwchem.nw --- appending .nw
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nwchem: failed to open the input file 0
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There is an error in the input file
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For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
But when I create an emty file nwchem.nw - it runs, I see it via top i, but nothing happens - no output from the code. Did anyone have such experience?
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