Message: 1
Date: Tue, 8 Jul 2008 10:18:30 +0000
From: Abu Naser <[EMAIL PROTECTED]>
Subject: [gmx-users] compilation problem with mopac in gromacs 3.3.3
and x86_64 machine
To: <gmx-users@gromacs.org>
Message-ID: <[EMAIL PROTECTED]>
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
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