[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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