The ABINIT Users Mailing List ( CLOSED )

[Alain Jacques <ajs.jacques@gmail.com>]

Hello again,

Physics fany wrote:

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1. opensuse comes with gcc-4.3.2 (?) yes, it does.
2. but what kind of MPI implementation are you using? openmpi-1.2.8

Nice. It is the system I am using for development - abinit 5.6.4 builds nicely on it, including parallelization. I realized that you work with version 5.4.4. 5.6.4 is out and is the recommended production release. But 5.4.4 should work

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3. A copy of your abinit configure or the head of the config.log would be useful. Please find it below.

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4. Maybe you need to specify a transport with mpirun suitable for your hardware setup. in abinit 5.4.4 I made the abinip by manually enabling mpi and some libraries, I did the same for some libraries, still the made abinip does not work!

Check with a "ldd abinip" that the exec links to the correct libraries; you should see references to /usr/local/lib/libmpi... right? Abinit's configure picks a mpi implementation you probably build yourself and install in /usr/local. If ldd finds unreferenced libraries you may have to add an "export  LD_LIBRARY_PATH=/usr/local/lib" i.e. where the libmpi reside.
Lets try a test. Make a test directory, cd to it, copy the content of the abinit distribution tests/paral/Input/ directory in it. Copy tests/Psps_for_tests/26fe.pspnc in your test directory. Make a test.files containing the following lines:

t_kpt+spin.int_kpt+spin.out
t.i
t.o
t
26fe.pspnc

and run it with "mpirun --mca btl sm,self -np 2 abinip < test.files >& log_mpi"
You may have to replace abinip with the full path to the exec. Follow the log_mpi output; this test takes a few minutes to  run. I assume you have at least a dual core CPU system therefore asking for 2 processes. From another terminal window, "top" should display 2 abinip tasks and plenty of CPU use :-) Does it work or do you have errors in the log?
If it doesn't, please show the error ... and the configure invocation line.

Kind regards,

Alain