AMBER Archive (2006)

Subject: Re: AMBER: Amber parallel version

From: Franck_Vendeix_at_ncsu.edu
Date: Thu Sep 07 2006 - 13:45:47 CDT

Thanks Jyh-Shyong for your suggestion, it helped. Amber9 parallel version
is now running fine on my Linux box (Red Hat Enterprise Linux v.4).

> Franck_Vendeix_at_ncsu.edu wrote:
>
>>Dear Amber Users,
>>
>>I am trying to build a parallel version of Amber on a Linux box running
>>Red Hat Enterprise Linux v 4.0
>>I got the following error messages:
>>cpp -traditional -I/usr/include -P -DMPI -xassembler-with-cpp
>>-Dsecond=ambsecond evb_vars.f > _evb_vars.f
>>gfortran -c -O0 -fno-second-underscore -ffree-form -o evb_vars.o
>> _evb_vars.f
>>cpp -traditional -I/usr/include -P -DMPI -xassembler-with-cpp
>>-Dsecond=ambsecond evb_input.f > _evb_input.f
>>gfortran -c -O0 -fno-second-underscore -ffree-form -o evb_input.o
>>_evb_input.f
>>cpp -traditional -I/usr/include -P -DMPI -xassembler-with-cpp
>>-Dsecond=ambsecond evb_init.f > _evb_init.f
>>gfortran -c -O0 -fno-second-underscore -ffree-form -o evb_init.o
>> _evb_init.f
>>Error: Can't open included file 'mpif-common.h'
>> In file _evb_init.f:382
>>
>> call mpi_bcast ( xdat_dia(n)% q, ndim, MPI_DOUBLE_PRECISION, 0,
>>commwo
>> 1
>>Error: Symbol 'mpi_double_precision' at (1) has no IMPLICIT type
>> In file _evb_init.f:387
>>
>> call mpi_bcast ( xdat_dia(n)% filename, 512, MPI_CHARACTER, 0,
>>commwor
>> 1
>>Error: Symbol 'mpi_character' at (1) has no IMPLICIT type
>> In file _evb_init.f:342
>>
>> call mpi_bcast ( ndim, 1, MPI_INTEGER, 0, commworld, ierr )
>> 1
>>Error: Symbol 'mpi_integer' at (1) has no IMPLICIT type
>>make[1]: *** [evb_init.o] Error 1
>>make[1]: Leaving directory `/home/franck/Amber9/amber9/src/sander'
>>make: *** [parallel] Error 2
>>
>>Could any body give a hint on what to do is this particular case?
>>
>>Thank you in advance for your replies.
>>
>>Franck
>>
>>PS: Amber serial version is installed and run properly on my machine
>>
>>
>>
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>>
>>
> You need to modify the variable FPPFLAGS definition in file config.h to
> include the mpich/mpi header directory,
> like this:
> ...
> FPPFLAGS=-I$MPI_HOME/include -P -DMPI ...
>
> and make sure that variable FC is defined as
>
> FC=$MPI_HOME/bin/mpif90
>
> Where $MPI_HOME is the directory of the MPI/MPICH is installed. It
> would be safer to use the
> MPI version built by gfortran Hope this help.
>
> Jyh-Shyong Ho, Ph.D.
> Research Scientist
> National Center for High Performance Computing
> Hsinchu, Taiwan, ROC.
>
>
>

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