[gmx-users] A MPI librabry not recognized by the configure script

[David van der Spoel]

Nicolas Sapay wrote:
> Hi,
> 
> I'm trying to compile the Gromacs-3.3.3 package with MPI and have the 
> following issue when I run the configuration script:
> 
>    ./configure --prefix /home/users/nsapay/local/bin/gromacs-3.3.3
>    --program-suffix _mpi --enable-mpi --disable-nice MPICC=mpicc CC=gcc
>    --without-x
>    CPPFLAGS=-I/home/users/nsapay/local/bin/fftw-3.1.2/include/
>    LDFLAGS=-L/home/users/nsapay/local/bin/fftw-3.1.2/lib/
>     >>> checking size of int... configure: error: cannot compute sizeof
>    (int)
> 
> the config.log file tells me it's because a MPI library is not found:
> 
>    configure:7621: mpicc -o conftest  -O3 -fomit-frame-pointer
>    -finline-functions -Wall -Wno-unused -funroll-all-loops
>    -I/home/users/nsapay/local/bin/fftw-3.1.2/include/
>    -L/opt/hpmpi/lib/linux_amd64/
>    -L/home/users/nsapay/local/bin/fftw-3.1.2/lib/  conftest.c  >&5
>    configure:7624: $? = 0
>    configure:7630: ./conftest
>    ./conftest: error while loading shared libraries: libmpio.so.1:
>    cannot open shared object file: No such file or directory
>    configure:7633: $? = 127
>    configure: program exited with status 127
> 
> I tried to reconfigure the installation by including the directory where 
> the libmpi is stored:
> 
>    ./configure --prefix /home/users/nsapay/local/bin/gromacs-3.3.3
>    --program-suffix _mpi --enable-mpi --disable-nice MPICC=mpicc
>    CC=gcc  --without-x    
> CPPFLAGS=-I/home/users/nsapay/local/bin/fftw-3.1.2/include/    
> LDFLAGS="-L/opt/hpmpi/lib/linux_amd64/
>    -L/home/users/nsapay/local/bin/fftw-3.1.2/lib/"

You might want to try
LD=mpicc

> 
> But it doesn't work. I get exactly the same error message. Why the 
> libmpio.so.1 library is not recognized by the configuration script? Note 
> that I have compiled Gromacs without MPI with no particular issue.  The 
> system is a HP cluster with AMD processors, Red Hat 4.5, gcc/mpicc 3.4.6.
> 
> Thanks a lot for your advices
> 
> -Nicolas
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se