[molpro-user] problems when compiling parallel 2009.1 version

Jacky LIEVIN jlievin at ulb.ac.be
Mon Aug 17 10:22:26 BST 2009

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


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

GNU Compiler Collection, Version 3.4.6

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


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
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  
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  
mpi_utils.c: In function `ProcID':
mpi_utils.c:70: error: `MPI_COMM_WORLD' undeclared (first use in this  

Jacky Liévin
Service de Chimie Quantique et Photophysique
Université Libre de Bruxelles, CPi 160/09
50 av F.D. Roosevelt
B-1050 Bruxelles
Tel: +32-2-650 4089
Fax: +32-2-650 4232

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