[ase-users] ASAP3 installation

[lipai at mail.ustc.edu.cn]

Hi there,
  I'd like to install the asap3 for parallel EAM calculation, but failed in many ways such as using pip or "python setup.py install" after downloading the source code. Is there any solution to deal with this problem? It seeems the problem is the same with the same error message as follows:
/usr/bin/ld: this linker was not configured to use sysroots
  collect2: error：ld return 1
...
RuntimeError: Command failed: mpicxx -o build/bin.linux-x86_64-3.6/asap-python build/temp.linux-x86_64-3.6/Basics/Langevin.o build/temp.linux-x86_64-3.6/Basics/Vec.o build/temp.linux-x86_64-3.6/Basics/Exception.o build/temp.linux-x86_64-3.6/Basics/Matrix3x3.o build/temp.linux-x86_64-3.6/Basics/NormalAtoms.o build/temp.linux-x86_64-3.6/Basics/MolecularDynamics.o build/temp.linux-x86_64-3.6/Basics/NeighborCellLocator.o build/temp.linux-x86_64-3.6/Basics/Debug.o build/temp.linux-x86_64-3.6/Basics/ImagePotential.o build/temp.linux-x86_64-3.6/Basics/Timing.o build/temp.linux-x86_64-3.6/Basics/AsapObject.o build/temp.linux-x86_64-3.6/Basics/NeighborList.o build/temp.linux-x86_64-3.6/Basics/RandomNumbers.o build/temp.linux-x86_64-3.6/Basics/NeighborList2013.o build/temp.linux-x86_64-3.6/Basics/MonteCarloAtoms.o build/temp.linux-x86_64-3.6/Basics/ImageAtoms.o build/temp.linux-x86_64-3.6/Basics/DynamicAtoms.o build/temp.linux-x86_64-3.6/Basics/VelocityVerlet.o build/temp.linux-x86_64-3.6/Potentials/EMTPythonParameterProvider.o build/temp.linux-x86_64-3.6/Potentials/EMTRasmussenParameterProvider.o build/temp.linux-x86_64-3.6/Potentials/RGL.o build/temp.linux-x86_64-3.6/Potentials/MonteCarloEMT.o build/temp.linux-x86_64-3.6/Potentials/MetalOxideInterface2.o build/temp.linux-x86_64-3.6/Potentials/EMT2013.o build/temp.linux-x86_64-3.6/Potentials/Morse.o build/temp.linux-x86_64-3.6/Potentials/EMTDefaultParameterProvider.o build/temp.linux-x86_64-3.6/Potentials/LennardJones.o build/temp.linux-x86_64-3.6/Potentials/Potential.o build/temp.linux-x86_64-3.6/Potentials/RahmanStillingerLemberg.o build/temp.linux-x86_64-3.6/Potentials/MetalOxideInterface.o build/temp.linux-x86_64-3.6/Potentials/EMT.o build/temp.linux-x86_64-3.6/Interface/PTMInterface.o build/temp.linux-x86_64-3.6/Interface/EMTParameterProviderInterface.o build/temp.linux-x86_64-3.6/Interface/PotentialInterface.o build/temp.linux-x86_64-3.6/Interface/DynamicsInterface.o build/temp.linux-x86_64-3.6/Interface/RDFInterface.o build/temp.linux-x86_64-3.6/Interface/NeighborLocatorInterface.o build/temp.linux-x86_64-3.6/Interface/OpenMPInterface.o build/temp.linux-x86_64-3.6/Interface/ExceptionInterface.o build/temp.linux-x86_64-3.6/Interface/ToolsInterface.o build/temp.linux-x86_64-3.6/Interface/PythonConversions.o build/temp.linux-x86_64-3.6/Brenner/radic.o build/temp.linux-x86_64-3.6/Brenner/BrennerPotential.o build/temp.linux-x86_64-3.6/Brenner/sili_germ.o build/temp.linux-x86_64-3.6/Brenner/caguts.o build/temp.linux-x86_64-3.6/Brenner/spgch.o build/temp.linux-x86_64-3.6/Brenner/expand.o build/temp.linux-x86_64-3.6/Brenner/radicdata.o build/temp.linux-x86_64-3.6/Brenner/bcuint.o build/temp.linux-x86_64-3.6/Brenner/mtable.o build/temp.linux-x86_64-3.6/Brenner/pibond.o build/temp.linux-x86_64-3.6/Brenner/inter2d_iv.o build/temp.linux-x86_64-3.6/Tools/FullCNA.o build/temp.linux-x86_64-3.6/Tools/RawRadialDistribution.o build/temp.linux-x86_64-3.6/Tools/SecondaryNeighborLocator.o build/temp.linux-x86_64-3.6/Tools/CoordinationNumbers.o build/temp.linux-x86_64-3.6/Tools/CNA.o build/temp.linux-x86_64-3.6/Tools/GetNeighborList.o build/temp.linux-x86_64-3.6/PTM/deformation_gradient.o build/temp.linux-x86_64-3.6/PTM/convex_hull_incremental.o build/temp.linux-x86_64-3.6/PTM/graph_data.o build/temp.linux-x86_64-3.6/PTM/alloy_types.o build/temp.linux-x86_64-3.6/PTM/normalize_vertices.o build/temp.linux-x86_64-3.6/PTM/neighbour_ordering.o build/temp.linux-x86_64-3.6/PTM/initialize_data.o build/temp.linux-x86_64-3.6/PTM/canonical.o build/temp.linux-x86_64-3.6/PTM/index_ptm.o build/temp.linux-x86_64-3.6/PTM/qcprot/polar.o build/temp.linux-x86_64-3.6/PTM/qcprot/quat.o build/temp.linux-x86_64-3.6/PTM/voronoi/cell.o build/temp.linux-x86_64-3.6/ParallelInterface/mpi.o build/temp.linux-x86_64-3.6/Parallel/ParallelAtoms.o build/temp.linux-x86_64-3.6/Parallel/ParallelPotential.o build/temp.linux-x86_64-3.6/Parallel/RegularGridDecomposition.o build/temp.linux-x86_64-3.6/ParallelInterface/AsapParallel.o build/temp.linux-x86_64-3.6/ParallelInterface/ParallelAtomsInterface.o build/temp.linux-x86_64-3.6/ParallelInterface/ParallelNeighborListInterface.o build/temp.linux-x86_64-3.6/ParallelInterface/ParallelPotentialInterface.o build/temp.linux-x86_64-3.6/VersionInfo_autogen/version_node100_p.o  -L/public/software/python/anaconda3/lib/python3.6/config-3.6m-x86_64-linux-gnu -lm -L. -lpython3.6m -lm -L. -lpython3.6m -lpthread -ldl -lutil -lrt -lm  -L/public/software/python/anaconda3/lib -Wl,-rpath=/public/software/python/anaconda3/lib -Wl,--no-as-needed -Wl,--sysroot=/  -Xlinker -export-dynamic


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Pai Li（李湃）

PhD in condensed matter

Hefei National Laboratory for Physical Sciences at Microscale

University of Science and Technology of China (USTC)

Hefei, Anhui, 230026, China

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