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Problem When test openmx with Alpha E45 machine
Date: 2008/07/24 00:18
Name: Duong Dinh Loc   <mambom1902@yahoo.com>

Dear all,

I installed Openmx3.4 in Alpha machine by Mpich2 package. The makefile is:
CC =/home/loc/workstation_program/mpich2/bin/mpicc -Dnoomp -O3 -I/home/loc/workstation_program/mpich2/include
LIB = -L/home/loc/workstation_program/mpich2/lib -lfftw3 -llapack -lblas

The install process was ok.
But when i try to run Methane.dat sample, I got the error:

<Input_std> The system includes 2 species and 5 atoms.

*******************************************************
PAO and VPS
*******************************************************

<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_TM.vps is l-dependent.
<SetPara_DFT> VPSs of species C were normally found.
C_TM_PCC.vps is l-dependent.

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

<FT_PAO> Fourier transform of pseudo atomic orbitals

[1]+ Floating point exception./openmx Methane.dat >out_methane

How can I solve this problem?
ƒƒ“ƒe
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