[gmx-users] Installing GROMACS 3.2.1 on SGI IRIX Origin

[Akshay Patny]

Hi Dr. David

 

While searching, I saw the notes of Dr. Haruna from SGI:
http://www.gromacs.org/pipermail/gmx-users/2005-August/016430.html 

 

I thought of installing gromacs-3.2.1 instead of 3.3.1

 

I have followed the procedure as given by Dr. Haruna and added 3 patches. It
appears to me that ./configure for gmx went okay, and it's output is as
follows:

________________________________________________________

 

GROMACS is ready to compile.

 

* Binaries and libraries for this host will be installed in

    /usr/people/guest/gromacs-3.2.1/mips-sgi-irix6.5/bin

    /usr/people/guest/gromacs-3.2.1/mips-sgi-irix6.5/lib

  and shared data will placed in

    /usr/people/guest/gromacs-3.2.1/share

  (You can set this with --prefix, --exec-prefix and --datadir)

________________________________________________________

 

When I did 

 

make

 

It, however, gave me following last output with error at the end

 

________________________________________________________

Making all in contrib

Making all in admin

Making all in scripts

            cat ./GMXRC.in | sed
's, at bindir\@,/usr/people/guest/gromacs-3.2.1/mips-sgi-irix6.5/bin,' > GMXRC

            cat ./GMXRC.csh.in | sed
's, at libdir\@,/usr/people/guest/gromacs-3.2.1/mips-sgi-irix6.5/lib,' | \

            sed
's, at bindir\@,/usr/people/guest/gromacs-3.2.1/mips-sgi-irix6.5/bin,' | \

            sed 's, at datadir\@,/usr/people/guest/gromacs-3.2.1/share,' | \

            sed 's, at mandir\@,/usr/people/guest/gromacs-3.2.1/man,'  >
GMXRC.csh

            cat ./GMXRC.bash.in | sed
's, at libdir\@,/usr/people/guest/gromacs-3.2.1/mips-sgi-irix6.5/lib,' | \

            sed
's, at bindir\@,/usr/people/guest/gromacs-3.2.1/mips-sgi-irix6.5/bin,' | \

            sed 's, at datadir\@,/usr/people/guest/gromacs-3.2.1/share,' | \

            sed 's, at mandir\@,/usr/people/guest/gromacs-3.2.1/man,'  >
GMXRC.bash

            cat ./GMXRC.zsh.in | sed
's, at libdir\@,/usr/people/guest/gromacs-3.2.1/mips-sgi-irix6.5/lib,' | \

            sed
's, at bindir\@,/usr/people/guest/gromacs-3.2.1/mips-sgi-irix6.5/bin,' | \

            sed 's, at datadir\@,/usr/people/guest/gromacs-3.2.1/share,' | \

            sed 's, at mandir\@,/usr/people/guest/gromacs-3.2.1/man,'  >
GMXRC.zsh

Making all in share

Making all in top

Making all in tutor

Making all in nmr1

Making all in nmr2

Making all in speptide

Making all in water

Making all in gmxdemo

Making all in methanol

Making all in mixed

Making all in template

            cat ./Template.mak | \

            sed
's, at LDFLAGS\@,-L/usr/people/guest/gromacs-3.2.1/mips-sgi-irix6.5/lib
-L/usr/people/guest/fftw-2.1.5/lib  -woff 84,' | \

            sed 's, at LIBS\@,-lmd -lgmx  -lnsl -lrfftw -lfftw -lm -lmpi -lXm
-lXt  -lSM -lICE -lXext -lX11    -L/usr/people/guest/fftw-2.1.5/lib
-L/usr/lib32/mips4/r10000 -L/usr/lib32/mips4 -L/usr/lib32 -lmpi -lftn -lm ,'
| \

            sed 's, at CFLAGS\@,-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
-I/usr/people/guest/gromacs-3.2.1/include,' | \

            sed 's, at CC\@,cc,' | \

            sed 's, at host\@,mips-sgi-irix6.5,' >Makefile.mips-sgi-irix6.5

Making all in html

Making all in .

Making all in images

Making all in online

Making all in include

Making all in .

Making all in types

Making all in man

Making all in man1

            cd . && /bin/sh /usr/people/guest/gromacs-3.2.1/config/missing
--run aclocal-1.7 

/usr/people/guest/gromacs-3.2.1/config/missing[33]: aclocal-1.7:  not found

WARNING: `aclocal-1.7' is needed, and you do not seem to have it handy on
your

         system.  You might have modified some files without having the

         proper tools for further handling them.  Check the `README' file,

         it often tells you about the needed prerequirements for installing

         this package.  You may also peek at any GNU archive site, in case

         some other package would contain this missing `aclocal-1.7'
program.

*** Error code 1 (bu21)

*** Error code 1 (bu21)

________________________________________________________

 

Can you please suggest where and how can I install this 'alocal-1.7' and how
to fix this error.

 

I do not have support from expert UNIX people, and I am very desperate to
install GROMACS, I will appreciate help regarding this.

 

Kind Regards

 

Akshay

 

Akshay Patny



Graduate Research Assistant
Faser Hall 417, Department of Medicinal Chemistry

Research Institute of Pharmaceutical Sciences
University of Mississippi
University, MS 38677
E-mail: akshay17 at olemiss.edu
Tel: 662-915-1286 (office); Web: www.olemiss.edu 

 

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