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?
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