osmair oliveira wrote:
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
Now that I look back at your original "configure" command:
./configure --enable-mpi --with-qmmm-mopac CPPFLAGS=-DUSE_MOPAC
LDFLAGS=-L/home/osmair/qmmm/ -LD_LIBRARY_PATH=-lmopac
I think you have some problems. First, the LD_LIBRARY_PATH (without the
preceding - ) should point to a directory, not a flag (which, if you'll note,
does not show up in the output you've posted). Second, does the directory
"/home/osmair/qmmm" contain the necessary libraries? Or is it actually a
subdirectory that you want to specify?
-Justin
Osmair
> Date: Fri, 6 Feb 2009 13:18:28 -0500
> From: [email protected]
> To: [email protected]
> 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
>
> ========================================
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--
========================================
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
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