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sanshar / Block

Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
GNU General Public License v3.0
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Failed by the run-time error, etc... #16

Closed naokin closed 9 years ago

naokin commented 9 years ago

Due to some missing broadcasts in input.C, DMRG calc. failed by run-time errors. After fixed these bugs on my local repository, I tried to compute twopdm of a simple molecule, but it was not correctly computed. It seemed that twopdm elements were not computed (i.e. assign 0.0) except for root process. Does anyone meet the same issue? or have any idea?

naokin commented 9 years ago

I've fixed on my own. This is the bug in serialization of std::vector with Boost.1.58.0 (lastest ver.). Hopefully, the bug will be fixed in the future version of boost.