My mistake: remove the nsb.h from the qm_mopac.c
I moved qmmm webpage to wwwuser.gwdg.de/~ggroenh/qmmm.html
Best,
Gerrit
Message: 3
Date: Mon, 8 Dec 2008 08:13:02 -0800 (PST)
From: Laercio Pol Fachin <[EMAIL PROTECTED]>
Subject: [gmx-users] Dificulties compiling Gromacs 4.0.2 with MOPAC7
QM/MM
To: GROMACS Users <[email protected]>
Message-ID: <[EMAIL PROTECTED]>
Content-Type: text/plain; charset="utf-8"
Dear GMX users:
I'm facing problems installing Gromacs 4.0.2 with mopac7 QM/MM.
I have downloaded MOPAC7 for SourceForge, as linked in previous
mails, and installed it. After, MPICH and fftw 3.0.1. So: "./
configure --enable-mpi --with-qmmm-mopac" runs O.K., but, during
"make":
(some shell indications in Portuguese):
---
make[3]: Entrando no diretório `/usr/local/gromacs-4.0.2/src/mdlib'
/bin/sh ../../libtool --tag=CCÂ Â --mode=compile mpicc -
DHAVE_CONFIG_H -I. -I../../src -I/usr/include/libxml2 -I../../
include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\"Â Â -O3 -fomit-
frame-pointer -finline-functions -Wall-Wno-unused -funroll-all-loops
-MT qm_mopac.lo -MD -MP -MF .deps/qm_mopac.Tpo -c -o qm_mopac.lo
qm_mopac.c
 mpicc -DHAVE_CONFIG_H -I. -I../../src -I/usr/include/libxml2 -
I../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O3 -
fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-
all-loops -MT qm_mopac.lo -MD -MP -MF .deps/qm_mopac.Tpo -c
qm_mopac.c -o qm_mopac.o
qm_mopac.c:52:17: error: nsb.h: Arquivo ou diretório não encontrado
make[3]: ** [qm_mopac.lo] Erro 1
make[3]: Saindo do diretório `/usr/local/gromacs-4.0.2/src/mdlib'
make[2]: ** [all-recursive] Erro 1
make[2]: Saindo do diretório `/usr/local/gromacs-4.0.2/src'
make[1]: ** [all] Erro 2
make[1]: Saindo do diretório `/usr/local/gromacs-4.0.2/src'
make: ** [all-recursive] Erro 1
---
I took a look at Gromacs Wiki, but what I found there couldn't clear
my doubts...
Aditionally, I searched through the mailing lists and no reference
for it is given (also,
http://www.mpibpc.mpg.de/groups/grubmueller/start/people/ggroenh/qmmm.html
keeps giving me "page not found").
Have I missed any important step? Or commited any stupid mistake?
PS.: I have tried to run "make" before running configure without-
qmmm-mopac, so it should not be a MPI problem.
Best regards,
Laércio Pol-Fachin
**********************************
--
Gerrit Groenhof
MPI biophysical chemistry
Goettingen
Germany
http://wwwuser.gwdg.de/~ggroenh/
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