Strange behavior running parallel

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Quote:Asa Nov 20th 2:30 pm
I have limited experience with nwchem, does the error below mean anything, just curious..?
Error in pstein5. eval is different on processors 0 and 1


It means that the parallel eigensolver is failing. Either the installation of the eigensolver has problems or the matrix that needs
to be diagonalized is not what is supposed to be.


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