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- From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] Re: Abinit natom limit
- Date: Tue, 08 Jul 2003 13:16:00 +0200
Dear Martin,
m.g.a.tijssens@lr.tudelft.nl wrote:
I have traced it down to an overflow of the array indsym in
routine Src_2geometry/symatm.f. The value of nsym in my case
was larger then 192 (384 to be precise), which was not cought
by the program because I set chkprim = 0.
Thanks for your accurate debugging ! Moreover, the format of the error
message in symatm.f was wrong. I have removed the nsym=192 limit
in symatm (it was there for historical reasons), and the version 4.0.4
will have that bug removed (as well as v4.1.3 and others, but v4.0.4
is very soon to come).
Best regards,
Xavier
- Re: Abinit natom limit, m . g . a . tijssens, 07/08/2003
- Re: [abinit-forum] Re: Abinit natom limit, Xavier Gonze, 07/08/2003
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