[gmx-users] make gives error in futil.c with mpi and ccc-6.5.6.002-1

[Yang Ye]

Hi,

this post is bit misorganized. so you have passed ./configure stage? I 
tackle the obvious first.

1. On Compaq platform, use export MPICC="gcc 
-L/usr/lib/mpi/mpi_compaq/lib -lmpifarg -lmpi -lelan"
2. it seems that the compiler doesn't receive Macro definition from 
commandline, so you may go into the files to hard code the string values 
(e.g. GMXLIBDIR are present in tools/futil.c and kernel/topio.c)

Regards,
Yang Ye

On 11/15/2007 6:59 AM, Chris Neale wrote:
> I am having difficulty installing the mpi version of gromacs 3.3.2 on  
> a new computer. I have the same problems for 3.3.1. The serial 
> version  appears to have worked fine. The cluster uses elan for MPI I 
> have parsed some values from config.log
> configure:3291: ccc -V >&5
> Compaq C T6.5-002 on Linux 2.4.21-3.7qsnet alpha
> Installed as ccc-6.5.6.002-1
> Red Hat Linux release 7.2 (Enigma)
> Using /usr/lib/gcc-lib/alpha-redhat-linux/2.96 (4).
> Compiler Driver T6.5-001 (Linux) cc Driver
>
> I believe my previous post was rejected since it was >2000 lines so I 
> have put the
> entire config.log here: 
> http://www.pomeslab.com/CN_GromacsPost_111407.html
> and reposted.
>
> mpicc appears to link like this (although the script is complicated 
> enough
> that I am not sure if this variable gets modified later):
> my %mpilibs ='-L/usr/lib/mpi/mpi_compaq/lib -lmpifarg -lmpi -lelan'
>
> I think that I must have autoconf somewhere since the Makefile was 
> created, however:
> $automake --version
> automake (GNU automake) 1.4-p5
> $ autoconf --version
> bash: autoconf: command not found
>
> I have found some posts related to futil.c including the following  
> potential fix
> http://www.gromacs.org/pipermail/gmx-users/2005-January/013806.html
> but I didn't understand where the quotes were intended to go and the  
> next reply indicates that this is not a good idea in any event.
>
> Another post indicates that I may be required to link it myself and  
> avoid the mpicc wrapper. I have tried including the following lines 
> in  my compilation script before calling configure
>
> export CC=gcc
> export MPICC=gcc
> export LIBS="-lmpi"
>
> but configure ends very quickly with the error message:
> checking for C compiler default output file name... configure: error:  
> C compiler cannot create executables
>
> Thanks for any assistance.
> Chris.
>
> ########
>
> I ran it like this:
>
> #!/bin/bash
>
> MD=/scratch/cneale/exe/gromacs-3.3.2
> cd $MD
>
> mkdir exec
> export FFTW_LOCATION=/home/cneale/exe/fftw-3.1.2/exec
> export GROMACS_LOCATION=${MD}/exec
> export CPPFLAGS="-I$FFTW_LOCATION/include"
> export LDFLAGS="-L$FFTW_LOCATION/lib"
>
> ./configure --prefix=$GROMACS_LOCATION --enable-mpi  
> --program-suffix="_mpi" --disable-nice > output.mpi_configure 2>&1
> make mdrun > output.mpi_make_mdrun 2>&1
> make install-mdrun > output.mpi_make_install_mdrun 2>&1
> #make distclean
>
> ########
>
> The first error in the 'make mdrun' output is:
>
> source='futil.c' object='futil.lo' libtool=yes \
> DEPDIR=.deps depmode=none /bin/sh ../../config/depcomp \
> /bin/sh ../../libtool --tag=CC   --mode=compile mpicc -DHAVE_CONFIG_H  
> -I. -I../../src  -I../../include  
> -DGMXLIBDIR=\"/scratch/cneale/exe/gromacs-3.3.2/exec/share/top\"  
> -I/home/cneale/exe/fftw-3.1.2/exec/include  -std1 -fast -O4 -no_ifo  
> -arch ev6 -unroll 2 -fp_reorder -c -o futil.lo futil.c
>  mpicc -DHAVE_CONFIG_H -I. -I../../src -I../../include  
> -DGMXLIBDIR=\"/scratch/cneale/exe/gromacs-3.3.2/exec/share/top\"  
> -I/home/cneale/exe/fftw-3.1.2/exec/include -std1 -fast -O4 -no_ifo  
> -arch ev6 -unroll 2 -fp_reorder -c futil.c -o futil.o
> cc: Error: futil.c, line 521: Invalid expression. (badexpr)
>       strcpy(libpath,GMXLIBDIR);
> ---------------------^
> cc: Warning: futil.c, line 521: Invalid token discarded. (invaltoken)
>       strcpy(libpath,GMXLIBDIR);
> ---------------------^
> make[2]: *** [futil.lo] Error 1
> make[2]: Leaving directory 
> `/mnt/scratch/cneale/exe/gromacs-3.3.2/src/gmxlib'
> make[1]: *** [all-recursive] Error 1
>
> make[1]: Leaving directory 
> `/mnt/scratch/cneale/exe/gromacs-3.3.2/src/gmxlib'
>
>
>
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