[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

GU: exam20 problems



I tried to run "runall", and  the exam20 calculation is stoped 
with a devision by zero error.

I am using the new November 1995 Version  (GAMESS VERSION = 22 NOV 1995), and

Perhabs out there there's someone who can try to do the calculation and 
 the DEC (OSF/1, ULTRIX) VERSION, compiled with f90. (TARGET = decaxpf90)

Any other comments are appreciated as well.

The last lines of my output are:

          -----------------
          DENSITY CONVERGED
          -----------------
     TIME TO FORM FOCK OPERATORS=       0.0 SECONDS (       0.0 SEC/ITER)
     TIME TO SOLVE SCF EQUATIONS=       0.0 SECONDS (       0.0 SEC/ITER)

 FINAL ENERGY IS      -11.3005920741 AFTER   6 ITERATIONS
 ...... END OF RHF CALCULATION ......

        STEP CPU TIME =    0.03  TOTAL CPU TIME =       0.2   (   0.0 MIN) IS
2+
 LOOKS =  1 ALF =  0.1000 FUNC =   -11.300592074 AMIN =  0.1000 FMIN =
-11.30+
forrtl: error (65): floating invalid
Abort process (core dumped)
unset echo
----- accounting info -----



Many thanks,


               Emilio       (sanfa@fisic1.ua.es)