[AMBER-Developers] Re: [AMBER] AmberTools 1.2 Installation on Ubuntu 9.10 Karmic Koala

From: Andreas Svrcek-Seiler <svrci.tbi.univie.ac.at>
Date: Tue, 10 Nov 2009 22:17:38 +0100 (CET)

>> 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,

AMBER-Developers mailing list
Received on Tue Nov 10 2009 - 13:30:03 PST
Custom Search