mir-group / flare_pp

A many-body extension of the FLARE code.
MIT License
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Errors when Compiling LAMMPS #39

Closed GTQ0319 closed 2 years ago

GTQ0319 commented 2 years ago

Dear all,

I am troubling compiling LAMMPS with flare_pp. It failed and I can't fix it.

I believe the errors come from the Eigen temporary library since the errors seem like structure mismatches.

I followed the Note that "clone the Eigen repository, and mv eigen/Eigen /path/to/lammps/src/" but it doesn't work well.

The LAMMPS has complied successfully without flare_pp under the same environment.

Part of the errors are shown as follows:

/HOME/bin/lammps/lammps/src/Eigen/src/Core/Block.h:144:59: required from ‘Eigen::Block<XprType, BlockRows, BlockCols, InnerPanel>::Block(XprType&, Eigen::Index, Eigen::Index, Eigen::Index, Eigen::Index) [with XprType = Eigen::Matrix<double, -1, 1>; int BlockRows = -1; int BlockCols = 1; bool InnerPanel = false; Eigen::Index = long int]’ /HOME/bin/lammps/lammps/src/Eigen/src/Core/VectorBlock.h:81:61: required from ‘Eigen::VectorBlock<MatrixType, Size>::VectorBlock(VectorType&, Eigen::Index, Eigen::Index) [with VectorType = Eigen::Matrix<double, -1, 1>; int Size = -1; Eigen::Index = long int]’ /HOME/bin/lammps/lammps/src/Eigen/src/Core/../plugins/BlockMethods.h:1161:84: required from ‘typename Eigen::DenseBase::FixedSegmentReturnType<Eigen::internal::get_fixed_value::value>::Type Eigen::DenseBase::segment(Eigen::Index, NType) [with NType = int; Derived = Eigen::Matrix<double, -1, 1>; typename Eigen::DenseBase::FixedSegmentReturnType<Eigen::internal::get_fixed_value::value>::Type = Eigen::VectorBlock<Eigen::Matrix<double, -1, 1>, -1>; Eigen::Index = long int]’ /HOME/bin/lammps/lammps/src/compute_flare_std_atom.cpp:196:62: required from here /HOME/bin/lammps/lammps/src/Eigen/src/Core/Block.h:217:66: error: using invalid field ‘Eigen::internal::BlockImpl_dense<XprType, BlockRows, BlockCols, InnerPanel, HasDirectAccess>::m_xpr’ m_blockRows(blockRows), m_blockCols(blockCols) gmake[2]: [CMakeFiles/lammps.dir/HOME/bin/lammps/lammps/src/compute_flare_std_atom.cpp.o] Error 1 gmake[1]: [CMakeFiles/lammps.dir/all] Error 2 gmake: *** [all] Error 2

Hope you can help me.

Best regards, Max Q

YuuuXie commented 2 years ago

@QiuGuotao which Eigen version are you using? Their master branch might not work, you might want to try versions <= 3.4

GTQ0319 commented 2 years ago

@QiuGuotao which Eigen version are you using? Their master branch might not work, you might want to try versions <= 3.4

Problem solved. Thank you very much.