Unable to compile Plumed with MPI support (configure: WARNING: cannot enable __PLUMED_MPI)

[gagandeeps...@gmail.com]

Hello,
When I tried to ./configure in plumed with both openmpi and mpich I got same errors:-

checking mpi.h usability... no

checking mpi.h presence... yes

configure: WARNING: mpi.h: present but cannot be compiled

configure: WARNING: mpi.h:     check for missing prerequisite headers?

configure: WARNING: mpi.h: see the Autoconf documentation

configure: WARNING: mpi.h:     section "Present But Cannot Be Compiled"

configure: WARNING: mpi.h: proceeding with the compiler's result

checking for mpi.h... no

configure: WARNING: cannot enable __PLUMED_MPI

I want to compile plumed with MPI support. 
Any help is appreciated. 

[rsu...@gmail.com]

I have the same problem...

Any help would be greatly appreciated

[mai...@uw.edu]

On Wednesday, January 28, 2015 at 4:37:53 AM UTC-8, gagandeeps...@gmail.com wrote:

When I tried to ./configure in plumed with both openmpi and mpich I got same errors:-

checking mpi.h usability... no

checking mpi.h presence... yes

configure: WARNING: mpi.h: present but cannot be compiled

configure: WARNING: mpi.h:     check for missing prerequisite headers?

configure: WARNING: mpi.h: see the Autoconf documentation

configure: WARNING: mpi.h:     section "Present But Cannot Be Compiled"

configure: WARNING: mpi.h: proceeding with the compiler's result

checking for mpi.h... no

configure: WARNING: cannot enable __PLUMED_MPI

I came across this post when I ran into the same issue. The problem seems to be that some MPI implementations (apparently Intel MPI and MPICH2) require a special flag when compiling C++ code. Try to configure plumed with the following command:

./configure CXXFLAGS=-DMPICH_IGNORE_CXX_SEEK --enable-mpi

This solved the problem for me on a cluster running an old installation of Intel MPI 3.2.1.

Hope this helps,

Lutz

[lumir....@gmail.com]

Unfortunately, MPICH_IGNORE_CXX_SEEK flag did not solve the problem (for me). Any other idea? I have Intel MPI 5.0.3.

Lumir

Dne středa 10. června 2015 21:24:31 UTC+2 mai...@uw.edu napsal(a):