AMBER Archive (2009)

Subject: Re: [AMBER] parallel installation of amber on sun

From: Per Jr. Greisen (pgreisen_at_gmail.com)
Date: Thu Apr 02 2009 - 15:38:54 CDT

Hi,

Thanks. I start by loading the mpi module

module load mpi/8.0

without changing anything I get an error that it cannot find the file
mpih.f hence I include the following flag for the compiler

fppflags="$fppflags -I/opt/SUNWhpc/HPC8.0/include"

and than I change the for the lib

if [ -f /opt/SS12/SUNWspro/lib/libsunperf.so ]; then

than

make parallel

this gives me the following error

cd sander; make parallel
./makedepend > depend
./checkparconf
/lib/cpp -P -DNO_SANDER_DIVCON -I/opt/SUNWhpc/HPC8.0/include -DBINTRAJ
-DMPI nose_hoover.f > _nose_hoover.f
f90 -c -O2 -free -o nose_hoover.o _nose_hoover.f

module nose_hoover_module
       ^
"_nose_hoover.f", Line = 70, Column = 8: ERROR: The compiler has
detected errors in module "NOSE_HOOVER_MODULE". No module information
file will be created for this module.

      include 'mpif-common.h'
"_nose_hoover.f", Line = 672, Column = 1: ERROR: Cannot open INCLUDE
file "mpif-common.h".

  call mpi_allreduce(E,Etmp,1,MPI_DOUBLE_PRECISION,mpi_sum,commsander,ierr)
                              ^
"_nose_hoover.f", Line = 906, Column = 31: ERROR: IMPLICIT NONE is
specified in the local scope, therefore an explicit type must be
specified for data object "MPI_DOUBLE_PRECISION".
                                                   ^
"_nose_hoover.f", Line = 906, Column = 52: ERROR: IMPLICIT NONE is
specified in the local scope, therefore an explicit type must be
specified for data object "MPI_SUM".

f90comp: 921 SOURCE LINES
f90comp: 4 ERRORS, 0 WARNINGS, 0 OTHER MESSAGES, 0 ANSI
*** Error code 1
make: Fatal error: Command failed for target `nose_hoover.o'
Current working directory
/xbar/nas1/gappl/gappl/ggamess/amber10/amber10/src/sander
*** Error code 1
make: Fatal error: Command failed for target `parallel'

I don't know what I am doing wrong

Best,

Per

On Thu, Apr 2, 2009 at 10:23 PM, Atro Tossavainen
<atro.tossavainen+amber_at_helsinki.fi> wrote:
>> "_nose_hoover.f", Line = 672, Column = 1: ERROR: Cannot open INCLUDE
>> file "mpif-common.h".
>
> I believe you must be doing something wrong, but you didn't supply enough
> information for the reader to be sure.
>
> If you are calling the FORTRAN compiler by any other name but "mpfSOMETHING",
> probably "mpf90" or "mpf95", you're taking the responsibility of figuring
> out where the MPI headers and libraries live upon yourself, quite
> unnecessarily.  The system should have wrappers for the compilers (the
> scripts whose names begin with "mp", followed by the compiler names)
> that would automatically include the correct directories to look at.
>
> Having said that, I don't see a mpi-common.h anywhere in
>
> /opt/SUNWhpc/HPC5.0/include
>
> on the Sun MPI-capable box I have access to.
>
> --
> Atro Tossavainen (Mr.)               / The Institute of Biotechnology at
> Systems Analyst, Techno-Amish &     / the University of Helsinki, Finland,
> +358-9-19158939  UNIX Dinosaur     / employs me, but my opinions are my own.
> < URL : http : / / www . helsinki . fi / %7E atossava / > NO FILE ATTACHMENTS
>
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