| 5:59:30 PM PST - Wed, Nov 13th 2013 |
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Tee
The tools shipped with NWChem 6.1.1 (ga-5-1) are incompatible with QLogic HW when ARMCI_NETWORK=OPENIB is used.
The tools shipped with NWChem 6.3 (ga-5-1) are compatible with QLogic HW, instead
You can try to link NWChem 6.1.1 with the ga-5-2 tools
Here are the instructions
- cd $NWCHEM_TOP/src/tools
- copy here the ga-5-2 directory from the nwchem-6.3/src/tools tree
- compile by typing make GA_DIR=ga-5-2
- relink by typing cd $NWCHEM_TOP/src; make link
- if the link operation shows some undefined symbols (mostly related to ARMCI), please define (or redefine) the BLASOPT environmental variable by adding -larmci, e.g.
BLASOPT=-larmci
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