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

chris.neale at utoronto.ca chris.neale at utoronto.ca
Thu Nov 15 20:00:58 CET 2007

> Find out the c preprocessor of the Compaq C compiler and try to obtain
> its output of parsed C source file.

Thanks Yang,

I will give that a shot if I run into any further problems. As it  
turns out it was a problem with our mpicc wrapper. After I localized  
the problem, our sysadmin realized that the string is passing through  
multiple shell layers and getting interpreted. The long-term solution  
is to modify our mpicc script, but for now I have had success  
compiling by doing the following procedure.

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"

./configure --prefix=$GROMACS_LOCATION --enable-mpi  
--program-suffix="_mpi" --disable-nice > output.mpi_configure 2>&1
make mdrun > output.mpi_make_mdrun 2>&1

edit src/gmxlib/Makefile and change the line:
AM_CPPFLAGS = -I$(top_srcdir)/include -DGMXLIBDIR=\"$(datadir)/top\"

AM_CPPFLAGS = -I$(top_srcdir)/include -DGMXLIBDIR='\"$(datadir)/top\"'

## note the added single quotes

make mdrun >> output.mpi_make_mdrun 2>&1
make install-mdrun > output.mpi_make_install_mdrun 2>&1


Terms to assist future searches:
cc: Error: futil.c, line 516: Invalid expression. (badexpr)
cc: Warning: futil.c, line 516: Invalid token discarded. (invaltoken)

make[1]: *** No rule to make target `../gmxlib/libgmx_mpi.la', needed  
by `mdrun'.  Stop.

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