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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)