Bug in memocc.F90

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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Bug in memocc.F90

Post by jzwanzig » Mon Apr 18, 2011 9:50 pm

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
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

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pouillon
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Location: Spain
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Re: Bug in memocc.F90

Post by pouillon » Tue Apr 19, 2011 2:34 pm

Please see this thread: viewtopic.php?f=17&t=993

You should get in touch with Damien Caliste for questions regarding memocc.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

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jzwanzig
Posts: 504
Joined: Mon Aug 17, 2009 9:25 am

Re: Bug in memocc.F90

Post by jzwanzig » Tue Apr 19, 2011 2:37 pm

Fantastic, thanks Yann!!! I find debug at the naughty level to be very useful, I will get in touch with Damien right away.

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

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