Strange behavior running parallel

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3:40:36 PM PST - Tue, Nov 20th 2012
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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