| 10:32:15 AM PST - Thu, Feb 7th 2013 |
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need to patch the source code
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Cebernardes,
The Intel Composer xe 2013 compiler generates erroneous code when compiling some of the NWChem source code.
You need to patch the 6.1.1 and recompile as mentioned in
http://nwchemgit.github.io/Special_AWCforum/sp/id2506
These are the steps needed
1) cd $NWCHEM_TOP/src
2) wget http://nwchemgit.github.io/images/Dstebz3.patch.gz
3) gzip -d Dstebz3.patch.gz
4) patch -p0 < Dstebz3.patch
5) recompile
Cheers, Edo
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