I tried to run a Perl script like this:
my \$output;
eval {\$output = Modules->DMol3->Energy->Run(\$doc);};
if (\$@) {
# Something bad has happened, move onto the next one
print "!!!!!!!!!!!!!!!!!!! ERROR !!!!!!!!!!!!!!!!\n";
print \$@;
and got such error information, it seems Energy-Run(\$doc) didn't run:
Application finished with no output file water (8).outmol in DMol3.Energy (function/property "Run") at -e line 86.
Processing frame 11, angle is 90 and distance is 1.1
!!!!!!!!!!!!!!!!!!! ERROR !!!!!!!!!!!!!!!!
Task completed with failure.
Anybody met this before? Thanks!