From NWChem
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Gets Around
Threads 18
Posts 57
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| 12:58:53 PM PST - Tue, Mar 6th 2018 |
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| FYI, generally following the directions at the NWC Github website, I have successfully compiled NWC 6.8 with openmpi and 'modules="all python" ' on various Intel and AMD Threadripper machines running CentOS 7.4 with kernels 3.10.0-693.el7-x86_64, 3.10.0-693.2.2, or 3.10.0-693.5.2. However recently, "yum update" installs kernel 3.10.0-693.17.1.el7-x86_64 which seems to prevent successful compiling. There probably is an elegant workaround for this, but I just downloaded and installed one of the above kernels as described at many places on the web. I have not tested any other kernels. A link to a detailed step-by-step for compiling and installing NWC can be found on the UAF webmo homepage https://chem2.uaf.edu/facilities/WebMO/ . The link is under "Installing the parallel version of NWChem 6.8.." near the bottom. Have fun!
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Gets Around
Threads 18
Posts 57
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| 9:22:47 PM PDT - Tue, May 1st 2018 |
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"Installing ..." link is going away.
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| My apologies, but due to changes in the UAF WebMO setup, the above link has been removed.
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