[gmx-users] compilation problem with mopac in gromacs 3.3.3, and x86_64 machine
ggroenh at gwdg.de
Tue Jul 8 18:57:19 CEST 2008
> 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,
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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