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Dear all, <br>
<br>
Thank you Zhi for reporting the bug. I just want to point out for
clarity, although you said it already:<br>
The patch has to be applied to the gromacs library file for eigenvector
input-output handling<br>
<br>
*eigio.c*: between line 110 and line 111<br>
add<br>
*eigval=NULL;<br>
<br>
do not change <br>
make_edi.c <br>
<br>
Cheers<br>
Oliver<br>
<br>
Guo Zhi wrote:
<blockquote
cite="mide59b874a0610090725m6b46796fqab3163521805559a@mail.gmail.com"
type="cite">Dear All:<br>
There is one bug in gromacs 3.3.1 make_edi module before preparing
for flooding, located in file eigio.c.<br>
When allocating memory for input eigenvalue array, a realloc()
error occurs because of wild pointer.
<br>
<br>
goto line 111, before <br>
"while (fread_trnheader(status,&head,&bOK))<br>
"<br>
<br>
Insert one line <br>
"*eigval=NULL;"<br>
<br clear="all">
<br>
-- <br>
Guo Zhi
<br>
Department of Physics, Fudan University<br>
Computational Biophysics Group<br>
Address: No. 220 Handan Rd., Shanghai<br>
Zip code: 200433<br>
Phone: 80-021-65643521<br>
mail: <a href="mailto:gzgzgz@gmail.com">gzgzgz@gmail.com
</a> OR <a href="mailto:042019028@fudan.edu.cn">042019028@fudan.edu.cn</a>
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<br>
<pre class="moz-signature" cols="90">--
Oliver Lange
MPI for biophysical Chemistry
<a class="moz-txt-link-abbreviated" href="mailto:olange@gwdg.de">olange@gwdg.de</a>
Fax: +495512012302
Tel: +495512012305
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