How to compile and run NWCHEM 6.3 in parallel mode on MAC OS X?

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Ladies and Gentlemen:
    How to compile and run NWCHEM 6.3 in parallel mode on MAC OS X?

  • Huub Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Our online documentation describes how to compile a serial version of NWChem. To build a parallel version you will need the same software as for the serial one and you will need MPI on your Mac. Once you have those components in place it should work like any other Linux build. We have noticed some issues with 32 bit Mac OS platforms in the past. So you want to make sure to run the QA after you built the code. If you run into problems we can work through those.
Edited On 8:07:49 AM PDT - Wed, Jun 4th 2014 by Huub

  • Huub Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Have you looked at: http://www.nwchem-sw.org/index.php/Compiling_NWChem#How_to:_Mac_platforms ?


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