Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

electrostatic calculation stops

Masoud Nahali


when I add the following lines to my input file the calculation stops after a while and cannot continue but still uses CPUs.

$CUBE mesh=fine $END
$ELDENS IEDEN=1 spind=.t. $END


         stops at the following line :

POINT   1           X           Y           Z (BOHR)    CHARGE
               -0.368365   -2.841257   -0.191486        0.00 (A.U.)
        DX          DY          DZ         /D/  (DEBYE)

attached you can find the input and output files.
I  appreciate any help to solve the issue in advance.

Sincerely Yours

This message contains the 355 kb attachment
[ ]

[ Previous ] [ Next ] [ Index ]           Sun Feb 26 '17 9:09pm
[ Reply ] [ Edit ] [ Delete ]           This message read 717 times