>> I have done this and still get this error when I test.
>>
>> ./Run.tp: Program error
>> make: *** [test.antechamber.hasG77] Error 1
>
...After testing the fresh cvs-checkout I have a suspicion.
With "-g3 -fbounds-check -Wuninitialized -ftrap -O0" as gfortran-options
and "-O0 -g3" as gcc-options,
../../../exe/antechamber -i tp.pdb -fi pdb -o tp.mol2 -fo mol2 -c bcc
(which is the first thing "Run.tp" really does),
I get the following error:
At line 5270 of file _qm2_load_params_and_allocate.f
Fortran runtime error: Array reference out of bounds for array 'reference_index', upper bound of dimension 1 exceeded (4 > 3)
Error: cannot run "/scr/orgon/svrci/amber11/bin/sqm -O -i sqm.in -o
sqm.out" of bcc() in charge.c properly, exit
...unfortunately the offending line (and those around) don't tell me much,
but this might be a clue for the more antechamber-savvy.
I hope this helps,
Andreas
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Received on Tue Nov 10 2009 - 13:30:03 PST
