Re: AMBER: Amber9 parallel compilation openmpi issues

From: Benjamin Juhl <itbbju.itb.uni-stuttgart.de>
Date: Wed, 25 Jul 2007 16:18:28 +0200

Hi Francesco,

from the below output, i'd guess that /usr/local/openmpi-1.2.3/ is the
directory with the openmpi sourcecode, but it seems to have been
installed to a different location (probably just /usr/local/). As mpif90
--showme worked, you can try "which mpif90" in order to see where your
mpif90 is located (my guess is /usr/local/bin). Use those mpi wrappers
to manualy replace the compilers in your config.h for parallel amber. We
just did that and it worked fine with openmpi-1.2.2 (though we used
pathscale compilers). For reference i attached a config.h file that
worked for us, so you can see where you might want to put in the wrappers.

Benjamin


Francesco Pietra schrieb:
> --- Mark Williamson <Mark.Williamson.imperial.ac.uk> wrote:
>
>
>> Francesco Pietra wrote:
>>
>>> Because the intervening interventions may have blurred the original message
>>>
>>
>>
>>> /usr/local/openmpi-1.2.3/
>>>
>> ^
>> |
>> Somewhere, below this point in the file system there should exist an
>> executable called mpif90
>>
>>
>> Can you a) find it and post its complete path
>> (try "cd /usr/local/openmpi-1.2.3/ ;find ./ | grep mpif90")
>>
>
> francesco.deb64:/usr/local/openmpi-1.2.3$ find ./ | grep mpif90
>
> ./ompi/tools/wrappers/mpif90-wrapper-data.txt.in
>
> ./ompi/tools/wrappers/mpif90-wrapper-data.txt
>
> ./ompi/tools/wrappers/mpif90.1
>
> ./ompi/tools/wrappers/mpif90.1
>
>
>
>>
>> b) post the output from "mpif90 --showme" ?
>>
>>
> francesco.deb64:/usr/local/openmpi-1.2.3$ mpif90 --showme
>
> /opt/intel/fce/9.1.036/bin/ifort -I/usr/local/include -pthread -I/usr/local/lib
> -L/usr/local/lib -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl
> -Wl,--export-dynamic -lnsl -lutil
>
>
>
> Thanks
> francesco
>
>
>
>
>> regards,
>>
>> Mark
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>
>
>
>
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Received on Sun Jul 29 2007 - 06:07:11 PDT
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