OpenMXが動作しない

user@malive:~/openmx$ openmx Methane.dat 

The number of threads in each node for OpenMP parallelization is 1.

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 Welcome to OpenMX   Ver. 3.9.9                           
 Copyright (C), 2002-2019, T. Ozaki                    
 OpenMX comes with ABSOLUTELY NO WARRANTY.             
 This is free software, and you are welcome to         
 redistribute it under the constitution of the GNU-GPL.
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<Input_std>  Your input file was normally read.
<Input_std>  The system includes 2 species and 5 atoms.

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                     PAO and VPS                       
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<SetPara_DFT>  PAOs of species H were normally found.
<SetPara_DFT>  PAOs of species C were normally found.
<SetPara_DFT>  VPSs of species H were normally found.
               H_PBE19.vps is j-dependent.
               In case of scf.SpinOrbit.Coupling=off,
               j-dependent pseudo potentials are averaged by j-degeneracy,
               which corresponds to a scalar relativistic treatment.
<SetPara_DFT>  VPSs of species C were normally found.
               C_PBE19.vps is j-dependent.
               In case of scf.SpinOrbit.Coupling=off,
               j-dependent pseudo potentials are averaged by j-degeneracy,
               which corresponds to a scalar relativistic treatment.

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     Fourier transform of PAO and projectors of VNL    
*******************************************************

<FT_PAO>          Fourier transform of pseudo atomic orbitals
Could not open a file /met_rst/met.ftpao in FT_PAO
<FT_NLP>          Fourier transform of non-local projectors
Could not open a file /met_rst/met.ftnlp in FT_NLP
<FT_ProExpn_VNA>  Fourier transform of VNA separable projectors
Could not open a file /met_rst/met.ftPEvna in FT_ProExpn_VNA
<FT_VNA>          Fourier transform of VNA potentials
Error2: Could not open a file /met_rst/met.ftCvna in FT_VNA
<FT_ProductPAO>   Fourier transform of product of PAOs
Could not open a file /met_rst/met.ftProPAO in FT_ProductPAO

*******************************************************
  Allocation of atoms to processors at MD_iter=    1     
*******************************************************

 proc =   0  # of atoms=   5  estimated weight=         5.00000

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        Analysis of neighbors and setting of grids        
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TFNAN=      20   Average FNAN=   4.00000
TSNAN=       0   Average SNAN=   0.00000
<truncation> CpyCell= 1 ct_AN=   1 FNAN SNAN   4   0
<truncation> CpyCell= 1 ct_AN=   2 FNAN SNAN   4   0
<truncation> CpyCell= 1 ct_AN=   3 FNAN SNAN   4   0
<truncation> CpyCell= 1 ct_AN=   4 FNAN SNAN   4   0
<truncation> CpyCell= 1 ct_AN=   5 FNAN SNAN   4   0
TFNAN=      20   Average FNAN=   4.00000
TSNAN=       0   Average SNAN=   0.00000
<truncation> CpyCell= 2 ct_AN=   1 FNAN SNAN   4   0
<truncation> CpyCell= 2 ct_AN=   2 FNAN SNAN   4   0
<truncation> CpyCell= 2 ct_AN=   3 FNAN SNAN   4   0
<truncation> CpyCell= 2 ct_AN=   4 FNAN SNAN   4   0
<truncation> CpyCell= 2 ct_AN=   5 FNAN SNAN   4   0
TFNAN=      20   Average FNAN=   4.00000
TSNAN=       0   Average SNAN=   0.00000
<truncation> CpyCell= 2 ct_AN=   1 FNAN SNAN   4   0
<truncation> CpyCell= 2 ct_AN=   2 FNAN SNAN   4   0
<truncation> CpyCell= 2 ct_AN=   3 FNAN SNAN   4   0
<truncation> CpyCell= 2 ct_AN=   4 FNAN SNAN   4   0
<truncation> CpyCell= 2 ct_AN=   5 FNAN SNAN   4   0
<Check_System> The system is molecule.
lattice vectors (bohr)
A  = 18.897259885789,  0.000000000000,  0.000000000000
B  =  0.000000000000, 18.897259885789,  0.000000000000
C  =  0.000000000000,  0.000000000000, 18.897259885789
reciprocal lattice vectors (bohr^-1)
RA =  0.332491871581,  0.000000000000,  0.000000000000
RB =  0.000000000000,  0.332491871581,  0.000000000000
RC =  0.000000000000,  0.000000000000,  0.332491871581
Grid_Origin -9.300995100037 -9.300995100037 -9.300995100037
Cell_Volume =   6748.333037104149 (Bohr^3)
GridVol     =      0.025742847584 (Bohr^3)
Grid_Origin -9.300995100037 -9.300995100037 -9.300995100037
Cell_Volume =   6748.333037104149 (Bohr^3)
GridVol     =      0.025742847584 (Bohr^3)
<UCell_Box> Info. of cutoff energy and num. of grids
lattice vectors (bohr)
A  = 18.897259885789,  0.000000000000,  0.000000000000
B  =  0.000000000000, 18.897259885789,  0.000000000000
C  =  0.000000000000,  0.000000000000, 18.897259885789
reciprocal lattice vectors (bohr^-1)
RA =  0.332491871581,  0.000000000000,  0.000000000000
RB =  0.000000000000,  0.332491871581,  0.000000000000
RC =  0.000000000000,  0.000000000000,  0.332491871581
Required cutoff energy (Ryd) for 3D-grids = 120.0000
    Used cutoff energy (Ryd) for 3D-grids = 113.2041, 113.2041, 113.2041
Num. of grids of a-, b-, and c-axes = 64, 64, 64
Segmentation fault
cmsi / MateriAppsLive

OpenMXが動作しない #305
