[gmx-users] compilation problem with mopac in gromacs 3.3.3, and x86_64 machine

[Gerrit Groenhof]

> 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 
machine.

Gerrit