[gmx-users] GMX Installation on SGI

[David]

On Tue, 2003-12-02 at 14:43, Dastmalchi wrote:
> G'day,
> I am trying to install GMX on an SGI machine and need some help.
> I have installed fftw according to the instruction with no extra flag
> and assuming that it just installs double-precision FFTW. I have
> extracted the content of fftw.tar file and then I did cd into
> the created directory (/usr/people/programs/fftw-2.1.3/). I did
> ./configure and the rest of the instruction given for installation.
> Then I have uncompressed the tar file of the GMX and tried to run
> ./configure command (I did this in the
> (/usr/people/programs/gromacs-3.1.4 directory). I have pasted at the
> end of email what I can see on the screen. I also get a message at the
> end saying that 
> configure: error: Cannot find any single precision sfftw.h or fftw.h

you need to configure fftw with --enable-float
OR
gromacs with --disable-float
(float is fastest)

> ....
> However, I can see that fftw.h is in /usr/local/include directory.
> When I was installing fftw, I used "check" option and it was checking
> lots of stuff and the answer was ok all the time.
>  
> Would you please let me know, how can I be sure that fftw has been
> installed properly?
> What is the problem with installation of GMX?
>  
> Cheers,
> Siavoush
>  
> PS: please see below for the messages that I get when I run configure.
> 
> checking build system type... mips-sgi-irix6.5
> 
> checking host system type... mips-sgi-irix6.5
> 
> checking for a BSD compatible install... config/install-sh -c
> 
> checking whether build environment is sane... yes
> 
> checking for awk... awk
> 
> checking whether make sets ${MAKE}... yes
> 
> checking for cc... cc
> 
> checking for C compiler default output... a.out
> 
> checking whether the C compiler works... yes
> 
> checking whether we are cross compiling... no
> 
> checking for executable suffix... 
> 
> checking for object suffix... o
> 
> checking whether we are using the GNU C compiler... no
> 
> checking whether cc accepts -g... yes
> 
> checking for style of include used by make... GNU
> 
> checking dependency style of cc... sgi
> 
> checking for f77... f77
> 
> checking whether we are using the GNU Fortran 77 compiler... no
> 
> checking whether f77 accepts -g... yes
> 
> checking how to get verbose linking output from f77... -v
> 
> checking for Fortran 77 libraries... -L/usr/lib32/mips4/r10000
> -L/usr/lib32/mips4 -L/usr/lib32 -lftn -lm
> 
> checking for dummy main to link with Fortran 77 libraries... none
> 
> checking for Fortran 77 name-mangling scheme... lower case,
> underscore, no extra underscore
> 
> checking how to run the C preprocessor... cc -E
> 
> checking whether cc accepts -r10000 -mips4 -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... no
> 
> *******************************************************************
> 
> * Sorry, these optimization settings don't seem to work for *
> 
> * your C compiler. Use make CFLAGS=..., or edit the top Makefile. *
> 
> *******************************************************************
> 
> checking whether f77 accepts -r10000 -mips4 -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
> -OPT:cray_ivdep=TRUE... yes
> 
> checking for ident... /usr/sbin/ident
> 
> checking whether the compiler supports ident... yes
> 
> checking for non-GNU ld... /usr/bin/ld
> 
> checking if the linker (/usr/bin/ld) is GNU ld... no
> 
> checking for /usr/bin/ld option to reload object files... -r
> 
> checking for BSD-compatible nm... /usr/bin/nm -B
> 
> checking whether ln -s works... yes
> 
> checking how to recognise dependant libraries... pass_all
> 
> checking for dlfcn.h... yes
> 
> checking the maximum length of command line arguments... 8192
> 
> checking command to parse /usr/bin/nm -B output from cc object... ok
> 
> checking for objdir... .libs
> 
> checking for ranlib... :
> 
> checking for strip... strip
> 
> checking if cc static flag works... yes
> 
> checking for cc option to produce PIC... 
> 
> checking if cc PIC define -DPIC works... yes
> 
> checking if cc supports -c -o file.o... no
> 
> checking if we can lock with hard links... yes
> 
> checking whether the cc linker (/usr/bin/ld -n32) supports shared
> libraries... yes
> 
> checking how to hardcode library paths into programs... immediate
> 
> checking whether stripping libraries is possible... no
> 
> checking dynamic linker characteristics... irix6.5 ld.so
> 
> checking if libtool supports shared libraries... yes
> 
> checking whether to build shared libraries... no
> 
> checking whether to build static libraries... yes
> 
> configure: creating libtool
> 
> appending configuration tag "F77" to libtool
> 
> checking if libtool supports shared libraries... yes
> 
> checking whether to build shared libraries... no
> 
> checking whether to build static libraries... yes
> 
> checking for f77 option to produce PIC... 
> 
> checking if f77 PIC define -DPIC works... yes
> 
> checking if f77 supports -c -o file.o... no
> 
> checking if we can lock with hard links... yes
> 
> checking whether the f77 linker (/usr/bin/ld -n32) supports shared
> libraries... yes
> 
> checking how to hardcode library paths into programs... immediate
> 
> checking whether stripping libraries is possible... no
> 
> checking dynamic linker characteristics... irix6.5 ld.so
> 
> checking whether ln -s works... yes
> 
> checking for special C compiler options needed for large files... no
> 
> checking for _FILE_OFFSET_BITS value needed for large files... no
> 
> checking for _LARGE_FILES value needed for large files... no
> 
> checking for _LARGEFILE_SOURCE value needed for large files... no
> 
> checking for fseeko... yes
> 
> checking for sqrt in -lm... yes
> 
> checking for sfftw.h... no
> 
> checking for fftw.h... no
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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