[molpro-user] problems when compiling parallel 2009.1 version

[Andy May]

Jacky,

Hopefully this can be fixed by adding the location of the MPI include
files to the configure command line, eg:

-var CMPPINCLUDE="/path/to/MPI/include"

and then building.

Best wishes,

Andy

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
> _____________________________________
> 
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