I cannot get 6.7.2 to run when compiled in debug mode. The failure occurs in memocc.F90, line 488, because i_padding is being called with nstart=-2 and so the array is being accessed at element -1, which doesn't exist. The reason that nstart is set to -2 in debug mode is that in the calling function, mo_i1 line 973, it is set to product(shape(array))-ndebug, which evaluates to 3 - 5 = -2. However, as I have no real idea what the code is supposed to be doing I don't know how to fix the problem.
Please respond quickly, I really need to develop in debug mode as much as possible.
thanks,
Joe
Bug in memocc.F90
Bug in memocc.F90
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
Re: Bug in memocc.F90
Please see this thread: viewtopic.php?f=17&t=993
You should get in touch with Damien Caliste for questions regarding memocc.
You should get in touch with Damien Caliste for questions regarding memocc.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain
Simune Atomistics
Donostia-San Sebastián, Spain
Re: Bug in memocc.F90
Fantastic, thanks Yann!!! I find debug at the naughty level to be very useful, I will get in touch with Damien right away.
Joe
Joe
Josef W. Zwanziger
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com
Professor, Department of Chemistry
Canada Research Chair in NMR Studies of Materials
Dalhousie University
Halifax, NS B3H 4J3 Canada
jzwanzig@gmail.com