<div>Hello, vidhya sankar - </div><div><br></div>If the env. var's are really set and operate correctly, one should look for the problem in the MOPAC library itself. Do you use precompiled libmopac.a or compile it by hand? <div>
<br></div><div>BTW, did you try to exactly follow the procedure described on my website, from the very beginning??</div><div><br></div><div>Best.</div><div><br></div><div>-- </div><div>Dr. Vitaly V. Chaban<br>Department of Chemistry<br>
University of Rochester<br>Rochester, NY 14642</div><div><br></div><div><br></div><div><br></div><div><br><div class="gmail_quote">On Thu, Sep 9, 2010 at 2:18 AM, vidhya sankar <span dir="ltr"><<a href="mailto:scvsankar_agr@yahoo.com">scvsankar_agr@yahoo.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><table cellspacing="0" cellpadding="0" border="0"><tbody><tr><td valign="top" style="font:inherit"><div>I am using the following environmental variable</div>
<div> </div>
<div>export LDFLAGS="-L/usr/local/lib -Wl,--wrap,__ctype_b"<br>export CPPFLAGS=-DUSE_MOPAC<br>export LIBS="-lmopac -ltest"</div>
<div>then i have typed the following command</div>
<div> </div>
<div>./configure --with-qmmm-mopac<br>make<br>make install</div>
<div><br><br>--- On <b>Wed, 8/9/10, Vitaly Chaban <i><<a href="mailto:vvchaban@gmail.com" target="_blank">vvchaban@gmail.com</a>></i></b> wrote:<br></div>
<blockquote style="padding-left:5px;margin-left:5px;border-left:rgb(16,16,255) 2px solid"><br>From: Vitaly Chaban <<a href="mailto:vvchaban@gmail.com" target="_blank">vvchaban@gmail.com</a>><br>Subject: Re: reg Mopac gromacs compilation problem<br>
To: <a href="mailto:scvsankar_agr@yahoo.com" target="_blank">scvsankar_agr@yahoo.com</a><br>Date: Wednesday, 8 September, 2010, 5:48 PM<div><div></div><div class="h5"><br><br>
<div>Which environmental variables did you set?<br><br><br>-- <br>Dr. Vitaly V. Chaban<br>Department of Chemistry<br>University of Rochester<br>Rochester, NY 14642<br><br><br><br>On Wed, Sep 8, 2010 at 1:27 AM, <<a href="http://in.mc955.mail.yahoo.com/mc/compose?to=scvsankar_agr@yahoo.com" target="_blank">scvsankar_agr@yahoo.com</a>> wrote:<br>
> Hello,<br>><br>> Form name: Contacts<br>> ========================================<br>><br>> Message text:<br>> -----------------<br>> Dear chaban sir,<br>> thanks in advance<br>> When i type the following command in gromacs directory<br>
> ./configure --with-qmmm-mopac --disable-float<br>> it configure successfully<br>> but when i compile by make command i got the following error at the end of my compilation<br>><br>> libs/libgmxpreprocess_d.a ../mdlib/.libs/libmd_d.a
/root/gromacs-4.0.5/src/gmxlib/.libs/libgmx_d.a ../gmxlib/.libs/libgmx_d.a -lnsl -lfftw3 -lm -lmopac -ltest<br>> ../mdlib/.libs/libmd_d.a(qm_mopac.o): In function `call_mopac_SH':<br>> qm_mopac.c:(.text+0x2a7): undefined reference to `domop_'<br>
> ../mdlib/.libs/libmd_d.a(qm_mopac.o): In function `call_mopac':<br>> qm_mopac.c:(.text+0x70b): undefined reference to `domop_'<br>> ../mdlib/.libs/libmd_d.a(qm_mopac.o): In function `init_mopac':<br>
> qm_mopac.c:(.text+0x964): undefined reference to `domldt_'<br>> collect2: ld returned 1 exit status<br>> make[3]: *** [grompp] Error 1<br>> make[3]: Leaving directory `/root/gromacs-4.0.5/src/kernel'<br>
> make[2]: *** [all-recursive] Error 1<br>> make[2]: Leaving directory `/root/gromacs-4.0.5/src'<br>> make[1]: *** [all] Error 2<br>> make[1]: Leaving directory `/root/gromacs-4.0.5/src'<br>> make: *** [all-recursive] Error 1<br>
><br>> What should i do to avoid this
error? i am expecting your reply<br>> also when i use ./configure --without-qmmm-mopac --disable-float it compiles successfully<br>> -----------------<br>> Sender's name: vidhyasankar<br>><br>><br>> IP: 220.227.30.57<br>
> Date: 08.09.2010, 08:27<br>> ========================================<br>><br>> Best regards.<br>><br>><br>><br></div></div></div></blockquote></td></tr></tbody></table><br></blockquote></div><br><br clear="all">
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