[gmx-users] QMMM/mopac install

[osmair oliveira]

Hi Justin,

Ok, now, I try to install without mpicc, but I have the error:


cc
-O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-funroll-all-loops -o ffscan ffscan.o glaasje.o gctio.o init_sh.o
ionize.o md.o genalg.o do_gct.o relax_sh.o repl_ex.o xutils.o
compute_io.o  -L/home/osmair/qmmm/pack-gromacs-3.3.3-meta/
../replica-methods/.libs/libreplica.a -L/usr/lib64
../metalib/.libs/libmeta.a ../mdlib/.libs/libmd.a
../gmxlib/.libs/libgmx.a -lnsl -lfftw3f -lm -lXm -lXt -lSM -lICE -lXext
-lXp -lX11
../mdlib/.libs/libmd.a(qm_mopac.o): In function `call_mopac_SH':
qm_mopac.c:(.text+0x311): undefined reference to `domop_'
../mdlib/.libs/libmd.a(qm_mopac.o): In function `call_mopac':
qm_mopac.c:(.text+0x996): undefined reference to `domop_'
../mdlib/.libs/libmd.a(qm_mopac.o): In function `init_mopac':
qm_mopac.c:(.text+0xd6e): undefined reference to `domldt_'
collect2: ld returned 1 exit status
make[3]: *** [ffscan] Error 1
make[3]: Leaving directory `/home/osmair/qmmm/pack-gromacs-3.3.3-meta/src/kernel'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/osmair/qmmm/pack-gromacs-3.3.3-meta/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/home/osmair/qmmm/pack-gromacs-3.3.3-meta/src'
make: *** [all-recursive] Error 1

Osmair


> Date: Fri, 6 Feb 2009 13:18:28 -0500
> From: jalemkul at vt.edu
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] QMMM/mopac install
> 
> 
> 
> osmair oliveira wrote:
> 
> > mpicc: No such file or directory
> 
> It appears that you either don't have mpicc installed, or it is not within your 
> PATH.
> 
> -Justin
> 
> -- 
> ========================================
> 
> Justin A. Lemkul
> Graduate Research Assistant
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
> ========================================
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
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> Date: Fri, 6 Feb 2009 13:18:28 -0500
> From: jalemkul at vt.edu
> To: gmx-users at gromacs.org
> Subject: Re: [gmx-users] QMMM/mopac install
> 
> 
> 
> osmair oliveira wrote:
> 
> > mpicc: No such file or directory
> 
> It appears that you either don't have mpicc installed, or it is not within your 
> PATH.
> 
> -Justin
> 
> -- 
> ========================================
> 
> Justin A. Lemkul
> Graduate Research Assistant
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
> ========================================
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

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