[CPMD-list] instalation test1
Pinilla Castellanos Carlos
carlospi at estudiantes.fisica.unal.edu.co
Fri Feb 7 02:17:49 CET 2003
hello
I have one problem on starting a run the CPMD 3.7, the command line is
cpmd.x /SI.in SI_SGS>file.out
and the SI.in file is:
************************************************************************
&CPMD
OPTIMIZE WAVEFUNCTION
&END
&SYSTEM
SYMMETRY
1
CELL
5.43 1.0 1.0 0.0 0.0 0.0
CUTOFF
13
&END
&ATOMS
*SI_SGS KLEINMAN-BYLANDER
LMAX=P
8
0.000 0.000 0.000 1
0.000 2.715 2.715 1
2.715 0.000 2.715 1
2.715 2.715 0.000 1
1.358 1.358 1.358 1
4.072 1.358 4.072 1
1.358 4.072 4.072 1
4.072 4.072 1.358 1
&END
******************************************************************************************************************
the message error in the run of program is
hello
I have one problem on starting a run the CPMD 3.7 on intel Xeon
processor, linux redhat 7.2, the command line is
cpmd.x /SI.in SI_SGS>file.out
The SI.in file and SI_SGS is located in SOURCE, the Si.in file is:
************************************************************************
&CPMD
OPTIMIZE WAVEFUNCTION
&END
&SYSTEM
SYMMETRY
1
CELL
5.43 1.0 1.0 0.0 0.0 0.0
CUTOFF
13
&END
&ATOMS
*SI_SGS KLEINMAN-BYLANDER
LMAX=P
8
0.000 0.000 0.000 1
0.000 2.715 2.715 1
2.715 0.000 2.715 1
2.715 2.715 0.000 1
1.358 1.358 1.358 1
4.072 1.358 4.072 1
1.358 4.072 4.072 1
4.072 4.072 1.358 1
&END
******************************************************************************************************************
the message error in the run of program is
*************************************************************************************************************
PROGRAM CPMD STARTED AT: Thu Feb 6 19:01:46 2003
NO INPUT FILE NAME SPECIFIED
PROGRAM STOPS IN SUBROUTINE CONTROL|
*************************************************************************************************************
what's the problem? help me please
Carlos Pinilla
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