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| 2:44:03 PM PDT - Thu, Mar 19th 2015 |
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Quote:Frank.ramirez Mar 19th 11:02 amI noticed something about the NWChem calculations, when I tried to run a DFT calculation the error that came out is the last that I posted, but, when the calculation is an Ab-initio the error is different
ga_iter_lsolve: dgesv failed 140733193388032
It happens either single or multicore.
Hope this information worth.
This is a clear indication of a BLASOPT problem. Could you please send us the complete output of the commands
ldd $NWCHEM_TOP/bin/LINUX64/nwchem
cd $NWCHEM_TOP/src; make FC=gfortran link
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