Re: AMBER: Amber parallel version

From: Jyh-Shyong Ho <c00jsh00.nchc.org.tw>
Date: Wed, 06 Sep 2006 14:43:08 +0800

Franck_Vendeix.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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Received on Sun Sep 10 2006 - 06:07:02 PDT
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