[gmx-users] compilation problem with mopac in gromacs 3.3.3, and x86_64 machine
likhonnaser at hotmail.com
Wed Jul 9 13:48:13 CEST 2008
Thanks Gerrit and Nizamov,
I will use 32 bit mechine.
> Date: Tue, 8 Jul 2008 18:57:19 +0200
> From: ggroenh at gwdg.de
> To: gmx-users at gromacs.org
> Subject: [gmx-users] compilation problem with mopac in gromacs 3.3.3, and x86_64 machine
> > Message: 1
> > Date: Tue, 8 Jul 2008 10:18:30 +0000
> > From: Abu Naser <likhonnaser at hotmail.com>
> > Subject: [gmx-users] compilation problem with mopac in gromacs 3.3.3
> > and x86_64 machine
> > To: <gmx-users at gromacs.org>
> > Message-ID: <BAY134-W2093010469172DF9724659A3970 at phx.gbl>
> > Content-Type: text/plain; charset="iso-8859-1"
> > Hi Gerrit,
> > I am having problem during compilation as :
> > /mdlib/.libs/libmd_d.a(qm_mopac.o): In function `call_mopac_SH':
> > qm_mopac.c:(.text+0x2fc): undefined reference to `domop_'
> > ../mdlib/.libs/libmd_d.a(qm_mopac.o): In function `call_mopac':
> > qm_mopac.c:(.text+0x831): undefined reference to `domop_'
> > ../mdlib/.libs/libmd_d.a(qm_mopac.o): In function `init_mopac':
> > qm_mopac.c:(.text+0xace): undefined reference to `domldt_'
> > collect2: ld returned 1 exit status
> > Can you please give a clue why this is happening?
> > with regards,
> > Abu
> It is either what Nizamov suggests, or yoy do not have a working mopac
> library. Did you compile a working stand-alone mopac executable before
> creating the library?
> There is another issue I had with 64 bit machines. The code does not
> give the correct resutls when compiled in 64 bit mode. I have not found
> out why yet. In the end we had to create static mdrun binary on 32 bit
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