[CPMD-list] problems to run test

[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