[molpro-user] problems when compiling parallel 2009.1 version

[jacek klos]

Hi Jacky,
Looks like gcc can't find header files needed for mpi. Maybe it would  
be worthy to try to compile mpich2
library and link it with molpro.
Best
Jacek
On Aug 17, 2009, at 5:22 AM, Jacky LIEVIN wrote:

> Dear users,
>
> Compilation fails when installing the MPP version of 2009.1 on an
> Opteron HP cluster.
> See below the result of configure and the compilation errors
>
> Many thanks for any help or suggestion
>
> Jacky
>
> -----------------------------------------------------------------
> hydra81$ configure -batch -mpp -mppbase /usr/local/products/ga-4-0-1/
>
> machine type recognized as x86_64 (Generic 64-bit)
> kernel recognized as Linux
>
> Portland Fortran Compiler, Version 7.0
> FC=/bfucc/PRD_PGI/linux86-64/7.0-7/bin/pgf90
>
> GNU Compiler Collection, Version 3.4.6
> CC=/usr/bin/gcc
>
> Use BLAS library - system precompiled library
> BLASLIB=-L/usr/lib64 -lblas
>
> Use LAPACK library - Automatically Tuned Linear Algebra Software  
> (ATLAS)
> LAPACKLIB=-L/usr/lib64 -llapack
>
> Use MPP library - Global Arrays with MPI
> MPPLIB=-L/usr/local/products/ga-4-0-1/lib/LINUX64 -lglobal -lma -
> lpario -larmci
>
> MPILIB=-fPIC -L/lib -fno-second-underscore -fPIC -Wl,-rpath-link -Wl,/
> opt/vltmpi/OPENIB/mpi.gcc.rsh/lib/shared -L/opt/vltmpi/OPENIB/
> mpi.gcc.rsh/lib/shared -L/opt/vltmpi/OPENIB/mpi.gcc.rsh/lib -
> lmpichfarg -lmpich -Wl,-R/opt/vltmpi/OPENIB/mpi.gcc.rsh/lib -Wl,-R/ 
> opt/
> vltmpi/OPENIB/mpi.gcc.rsh/lib/shared -Wl,-R/usr/lib64 -L/usr/lib64 -
> libverbs -lpthread
>
> parallel=mpich1
>
> parse-Linux-x86_64-i8.o is your object
>
> CONFIG file created; proceed to compilation
> hydra81$ make
>
> ................................................
>
> make[2]: Entering directory `/bfucc/cc/gdestree/molpro2009.1/src/mpp'
> Rebuilding mpp/depend
> make[3]: Entering directory `/bfucc/cc/gdestree/molpro2009.1/src/mpp'
> preprocessing globalop.F
> compiling globalop.F
> compiling mpi_utils.c
> failed
> In file included from mpi_utils.c:19:
> mpi_utils.h:14:17: mpi.h: No such file or directory
> In file included from mpi_utils.c:19:
> mpi_utils.h:29: error: `MPI_MAX_ERROR_STRING' undeclared here (not in
> a function)
> mpi_utils.h:37: warning: parameter names (without types) in function
> declaration
> mpi_utils.h:41: error: syntax error before "MPI_Datatype"
> mpi_utils.h:42: error: syntax error before "MPI_Datatype"
> mpi_utils.c:27: error: syntax error before "comm"
> mpi_utils.c: In function `NNodes_Total':
> mpi_utils.c:35: error: `comm' undeclared (first use in this function)
> mpi_utils.c:35: error: (Each undeclared identifier is reported only  
> once
> mpi_utils.c:35: error: for each function it appears in.)
> mpi_utils.c:46: error: `MPI_CHAR' undeclared (first use in this
> function)
> mpi_utils.c: In function `ProcID':
> mpi_utils.c:70: error: `MPI_COMM_WORLD' undeclared (first use in this
> function)
>
> _____________________________________
> Jacky Liévin
> Service de Chimie Quantique et Photophysique
> Université Libre de Bruxelles, CPi 160/09
> 50 av F.D. Roosevelt
> B-1050 Bruxelles
> Belgium
> Tel: +32-2-650 4089
> Fax: +32-2-650 4232
> _____________________________________
>
> _______________________________________________
> Molpro-user mailing list
> Molpro-user at molpro.net
> http://www.molpro.net/mailman/listinfo/molpro-user

---------------------------------------
Jacek Klos, Ph. D.
Department of Chemistry and Biochemistry
University of Maryland
College Park, MD 20742 USA
tel: 1-301-405-1822
fax: 1-301-314-9121
http://www.researcherid.com/rid/A-6457-2008
----------------------------------------