[CPMD-list] problems to run input examples

[Eduardo]

Sirs

  I am a beginner on cpmd, so, after to compile the 3.7.0 version 
(thanks to all who help me, specially to Axel) and read the manual, I 
ran some tests. The first one (extracted from the manual) is described 
above:

######################################################################

! Wavefunction optimization using default setting
!
&CPMD
  OPTIMIZE WAVEFUNCTION
&END
&SYSTEM
SYMMETRY
 1
CELL
 10.2612  1.0   1.0   0.0 0.0 0.0
CUTOFF
13.
&END
&ATOMS
*SI_SGS KLEINMAN-BYLANDER
LMAX=P
 8

       0.00000    0.00000    0.00000    1
       0.00000    5.13000    5.13000    1
       5.13000    0.00000    5.13000    1
       5.13000    5.13000    0.00000    1
       2.56500    2.56500    2.56500    1
       2.56500    7.69500    7.69500    1
       7.69500    2.56500    7.69500    1
       7.69500    7.69500    2.56500    1
&END

I submitted it typing: ./cpmd.x teste.dat PPLIBNEW > teste.out

and got the output:

##################################################################
PROGRAM CPMD STARTED AT: Wed Sep 17 17:24:25 2003



             ******  ******    ****  ****  ******                
*******  *******   **********  *******              ***       **   ***  
** **** **  **   ***             **        **   ***  **  **  **  **    
**             **        *******   **      **  **    **             
***       ******    **      **  **   ***              *******  **        
**      **  *******                ******  **        **      **  ******  
                        VERSION 3.7.0

                          COPYRIGHT                                    
IBM RESEARCH DIVISION                        MPI FESTKOERPERFORSCHUNG 
STUTTGART                      The CPMD 
consortium                         WWW:   http://www.cpmd.org
               Mailinglist:   cpmd-list at cpmd.org
                   E-mail:   cpmd at cpmd.org


                ***  Apr  6 2003 -- 15:54:39  ***

THE INPUT FILE IS:                                     teste.dat
THIS JOB RUNS ON:                                               THE 
CURRENT DIRECTORY IS:                                               
/home/matter/ribas
THE TEMPORARY DIRECTORY IS:                                              
/home/matter/ribas
THE PROCESS ID IS:                                         20865
THE JOB WAS SUBMITTED BY:                                  ribas


SINGLE POINT DENSITY OPTIMIZATION

PATH TO THE RESTART FILES:                                    ./
GRAM-SCHMIDT ORTHOGONALIZATION
MAXIMUM NUMBER OF STEPS:                             10000 STEPS
PRINT INTERMEDIATE RESULTS EVERY                     10001 STEPS
STORE INTERMEDIATE RESULTS EVERY                     10001 STEPS
NUMBER OF DISTINCT RESTART FILES:                              1
TEMPERATURE IS CALCULATED ASSUMING EXTENDED BULK BEHAVIOR FICTITIOUS 
ELECTRON MASS:                               400.0000
TIME STEP FOR ELECTRONS:                                  5.0000
TIME STEP FOR IONS:                                       5.0000
CONVERGENCE CRITERIA FOR WAVEFUNCTION OPTIMIZATION:   1.0000E-05
WAVEFUNCTION OPTIMIZATION BY PRECONDITIONED DIIS
THRESHOLD FOR THE WF-HESSIAN IS                           0.5000
MAXIMUM NUMBER OF VECTORS RETAINED FOR DIIS:                  10
STEPS UNTIL DIIS RESET ON POOR PROGRESS:                      10
FULL ELECTRONIC GRADIENT IS USED SPLINE INTERPOLATION IN G-SPACE FOR 
PSEUDOPOTENTIAL FUNCTIONS
  NUMBER OF SPLINE POINTS:                                 5000

EXCHANGE CORRELATION FUNCTIONALS    LDA 
EXCHANGE:                                            NONE
  LDA XC THROUGH PADE APPROXIMATION
  S.GOEDECKER, J.HUTTER, M.TETER PRB 54 1703 (1996)

***     DETSP| THE NEW SIZE OF THE PROGRAM IS    1592 kBYTES ***





RECPNEW| ECPFILE NOT FOUND 
./SI_SGS                                          
################################################################################################# 




I tried others variations (./PPLIBNEW or PPLIBNEW/SI_SGS): the results 
are similar.
Could please, advise me to fix this problem?

       Thank you a lot in advance

           yours


               Eduardo

-- 
Eduardo Lemos de Sa - edulsa at quimica.ufpr.br
Dep. Quimica - Universidade Federal do Parana
Curitiba - PR - Brazil
Box: 19081 - Zip: 81531-990 - Phone: +55(41)361-3300