[gmx-users] installation problem

[Ruben Martinez Buey]

> Hi all,

Some weeks ago I reported to the list some compilation problems:
______________________________________________________-


> On Fri, 2003-02-28 at 03:23, Ruben Martinez Buey wrote:
> > Hi all,
> > I´m trying to compile gromacs 3.1.4 on a Silicon Origin 3800.
> > First, I set the next enviroment flags:
> >
> > setenv CPPFLAGS "-I/cicyt/e4149/fftw/include"
> > setenv LDFLAGS "-L/cicyt/e4149/fftw/lib"
> > setenv LIBS "-lmpi"
> > setenv INSTALL /r1/cicyt/e4149/gromacs-3.1.4/config/install-sh
> >
> > and then the options for configure:
> > ./configure --prefix=/home/gromacs --enable-mpi
> >
> > make
> >
> > and when finally make install:
> >
> >  /r1/cicyt/e4149/gromacs-3.1.4/config/install-sh -m 644 nrama.h
> > /r1/cicyt/e4149/gromacs/include/nrama.h
> >  /r1/cicyt/e4149/gromacs-3.1.4/config/install-sh -m 644 rmpbc.h
> > /r1/cicyt/e4149/gromacs/include/rmpbc.h
> >  /r1/cicyt/e4149/gromacs-3.1.4/config/install-sh -m 644 ./tgroup.h
> > /r1/cicyt/e4149/gromacs/include/tgroup.h
> > install:  ./tgroup.h does not exist
> > *** Error code 1 (bu21)
> > *** Error code 1 (bu21)
> > *** Error code 1 (bu21)
> > *** Error code 1 (bu21)

_________________________________________________________

> I resolved this problem by simply:

./configure --prefix=/home/gromacs-3.1.4 --enable-mpi
instead of ./configure --prefix=/home/gromacs --enable-mpi, where
/home/gromacs-3.1.4 is the resulting directory when I unzip the source
code.

All is right, but whn I try to compile in double precision:

./configure --prefix=/home/gromacs-3.1.4 --disable-float --enable-mpi
make

cc -O3 -OPT:IEEE_arithmetic=3 -OPT:rsqrt=ON -SWP:loop_overhead -INLINE:=ON
-LNO:opt=1 -LNO:ou_further=3 -OPT:Olimit=0:roundoff=3:alias=typed -woff
1174 -D__INLINE_INTRINSICS -woff 84 -o highway highway.o xutil.o xmb.o
x11.o xdlghi.o fgrid.o xdlgitem.o popup.o pulldown.o xdlg.o manager.o
buttons.o nmol.o nleg.o dialogs.o logo.o filter.o molps.o
-L/r1/cicyt/e4149/fftw/lib ../mdlib/.libs/libmd_mpi_d.a
-L/usr/lib64/mips4/r10000 -L/usr/lib64/mips4 -L/usr/lib64
../gmxlib/.libs/libgmx_mpi_d.a /r1/cicyt/e4149/fftw/lib/libdrfftw_mpi.a
/r1/cicyt/e4149/fftw/lib/libdfftw_mpi.a
/r1/cicyt/e4149/fftw/lib/libdrfftw.a /r1/cicyt/e4149/fftw/lib/libdfftw.a
-lXm -lXt -lSM -lICE -lXext -lX11 -lmpi -lftn -lm
Making all in contrib
        cd .. \
          && CONFIG_FILES= CONFIG_HEADERS=src/config.h \
             /bin/sh ./config.status
config.status: creating src/config.h
config.status: src/config.h is unchanged
Making all in admin
Making all in scripts
        cat ./GMXRC.in | sed
's, at bindir\@,/r1/cicyt/e4149/gromacs-3.1.4/mips-sgi-irix6.5/bin,' > GMXRC
        cat ./GMXRC.csh.in | sed
's, at libdir\@,/r1/cicyt/e4149/gromacs-3.1.4/mips-sgi-irix6.5/lib,' | \
        sed
's, at bindir\@,/r1/cicyt/e4149/gromacs-3.1.4/mips-sgi-irix6.5/bin,' | \
        sed 's, at datadir\@,/r1/cicyt/e4149/gromacs-3.1.4/share,' | \
        sed 's, at mandir\@,/r1/cicyt/e4149/gromacs-3.1.4/man,'  > GMXRC.csh
        cat ./GMXRC.bash.in | sed
's, at libdir\@,/r1/cicyt/e4149/gromacs-3.1.4/mips-sgi-irix6.5/lib,' | \
        sed
's, at bindir\@,/r1/cicyt/e4149/gromacs-3.1.4/mips-sgi-irix6.5/bin,' | \
        sed 's, at datadir\@,/r1/cicyt/e4149/gromacs-3.1.4/share,' | \
        sed 's, at mandir\@,/r1/cicyt/e4149/gromacs-3.1.4/man,'  > GMXRC.bash
        cat ./GMXRC.zsh.in | sed
's, at libdir\@,/r1/cicyt/e4149/gromacs-3.1.4/mips-sgi-irix6.5/lib,' | \
        sed
's, at bindir\@,/r1/cicyt/e4149/gromacs-3.1.4/mips-sgi-irix6.5/bin,' | \
        sed 's, at datadir\@,/r1/cicyt/e4149/gromacs-3.1.4/share,' | \
        sed 's, at mandir\@,/r1/cicyt/e4149/gromacs-3.1.4/man,'  > GMXRC.zsh
don't know how to make completion.csh (bu42).
*** Error code 1 (bu21)

Thanks a lot,
Groetens,
Ruben

>
>

--
___________________________________________

Rubén Martínez-Buey. PhD student
Protein Function and Structure Dept. Lab. 352
Centro de Investigaciones Biológicas (CIB-CSIC)
C/ Velázquez, 144  28006  MADRID
Tlf: +34-91-561 18 00 ext. 4380
___________________________________________


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