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

[Nicolas Sapay]

David van der Spoel wrote:
> 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
Nope, same error...
>
>>
>> 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
>>
>>
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>>
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>
>

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