ABINIT Discussion Forums

My OS is CentOS6.4. Openmpi is installed with yum.
My installation procedure is following:
1. download plugins into ~/.abnint/tarballs
2. eneter folder abinit-7.2.1

==============================================================================
=== Final remarks ===
==============================================================================


Summary of important options:

* C compiler : gnu version 4.4
* Fortran compiler: gnu version 4.4
* architecture : unknown unknown (64 bits)

* debugging : basic
* optimizations : standard

* OpenMP enabled : no (collapse: ignored) // What does it mean here?
* MPI enabled : yes
* MPI-IO enabled : no
* GPU enabled : no (none)

* TRIO flavor = netcdf-fallback+etsf_io-fallback
* TIMER flavor = abinit (libs: ignored)
* LINALG flavor = netlib (libs: auto-detected)
* ALGO flavor = none (libs: ignored)
* FFT flavor = none (libs: ignored)
* MATH flavor = none (libs: ignored)
* DFT flavor = libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback

Configuration complete.
You may now type "make" to build ABINIT.
(or, on a SMP machine, "make mj4", or "make multi multi_nprocs=<n>")

3. then make

included in m_profiling.F90：18 :
../../config.h:666: error：#error "HAVE_MPI1 and HAVE_MPI2 are both undefined"
m_profiling.F90:275: Error: Can't open included file 'mpif.h'
included in interfaces_11_memory_mpi.F90：24 :
../../config.h:666: error：#error "HAVE_MPI1 and HAVE_MPI2 are both undefined"
make[5]: *** [m_profiling.o] error 1
make[5]: *** waiting for unfinished jjob....
make[5]: Leaving directory `/home/weitong/downloads/abinit-7.2.1/src/11_memory_mpi'
make[4]: *** [all-recursive] error 1
make[4]: Leaving directory `/home/weitong/downloads/abinit-7.2.1/src'
make[3]: *** [all-recursive] error 1
make[3]: Leaving directory `/home/weitong/downloads/abinit-7.2.1'
make[2]: *** [all] error 2
make[2]: Leaving directory `/home/weitong/downloads/abinit-7.2.1'
make[1]: *** [multi] error 2
make[1]: Leaving directory `/home/weitong/downloads/abinit-7.2.1'
make: *** [mj4] error 2

Then I searched "mpif.h". it is locates in /usr/include/openmpi-x86_84.

What is the solution? Thanks

WT

Try with

./configure --with-mpi-prefix=/usr/lib64/openmpi/ --with-tardir=/home/weitong/.abinit/tarballs/

* OpenMP enabled : no (collapse: ignored) // What does it mean here?

It simply means that OpenMP support (threads for shared memory architectures) is not enabled.
Note that OpenMP is by no means related to openmpi (MPI) albeit their names are similar.

After this configure,

Make can be completed.
But configure (without --enable-mpi) results in
* MPI enabled : no
Is this OK?


Thanks.
WT

Could you post the log file config.log?

With this configure (with option "--enable-mpi"), I get the following error.


checking for gcc... /usr/lib64/openmpi//bin/mpicc
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... configure: error: in `/home/weitong/setup/abinit/abinit-7.2.1':
configure: error: cannot run C compiled programs.
If you meant to cross compile, use `--host'.
See `config.log' for more details

config.log is attached.

./conftest: error while loading shared libraries: libmpi.so.1: cannot open shared object file: No such file or directory
configure:10822: $? = 127

I guess the library is located in /usr/lib64/openmpi/lib but this directory in not known to the the linker.

Try with
export LD_LIBRARY_PATH=/usr/lib64/openmpi/lib:$LD_LIBRARY_PATH

I tried.
Yes, it does work with .

Thanks, gmatteo!

hi
i have same problem too but
although i enter this code export LD_LIBRARY_PATH=/usr/lib64/openmpi/lib:$LD_LIBRARY_PATH
same problem still exist.

i am adding config.log file