The ABINIT Users Mailing List ( CLOSED )

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

Hello Aaron,


On 1/10/10 19:08 PM, Aaron S. Wolf wrote:
> Hi-
>
> I have been trying off and on over the last couple months to install
> abinit. Originally, I was just trying to get a working version on my
> mac (running OS 10.5.7) to fool around with, but I was not successful.
> I now am trying to get it working on the beowulf cluster (running Red
> Hat Enterprise Linux 4) where I will actually be performing my
> calculations. Coincidentally, I have been having very similar problems
> installing on these two different machines. Any help you can provide
> is greatly needed and appreciated.

I remember a long discussion about Abinit on OSX a couple of months ago :-)
>
> So far, I have download the source, and then run 'configure
> -disable-all-plugins' and compiled. I must disable the plugins in
> order to get the compilation step to complete, otherwise it always
> runs into errors. When the compiling says that it's done, I can try to
> run the tests, but the results are not positive. First of all, many of
> the make tests_* commands do not work at all (They give This does not
> build (no rule exists) errors). This includes tests_min, tests_acc,
> test1, etc... Luckily, make tests_in does work, but not all of the
> tests pass. Tests 1,2,& 3 pass but the process quits before test 4
> passes (I attach that ouput at the bottom of this message). Following
> the advice of Yann Pouillon from my earlier install attempts, I ran
> make check and grepped for failed tests:
>      grep fail tests/*/*/report
>       > tests/v4/,,test_Linux_20100109/report:Case_46            failed

Trying to help you to compile Abinit without information about your
system is impossible. You said you are using a RHEL 4 cluster. This
Linux distribution comes with outdated gcc and gfortran compilers. So
what is your fortran compiler? Parallel libraries are probably installed
on your cluster. Again what version are you using - try a mpif90 -showme
to find out.

>
> Also, the 'src' directory never cleans up during the make step. It is
> still full of all the directories starting with numbers. It never
> creates a 'main' directory. Instead, the executables remain in the
> '98_main' directory. But the abinis does run, since it can pass some
> of the tests.

Nothing surprising that make doesn't "clean" the src directory or that
there is no "main" directory. The numbers come from the fact that the
different components have to be orderly compiled. The final executables
are linked in the 98_main by design. Run them from there or use make
install to copy them in the directory specified by --prefix= during the
configuration step.

The recipe is ...
1) prepare your environment. Adjust PATH and LD_LIBRARY_PATH for a
working compiler toolchain. I assume you want MPI parallel 64bit Abinit
so you need a 64bit mpif90. Check that it is able to produce a working
binary with a small test fortran program invoking MPI libraries. Write
down where the parallel fortran compiler resides (/PathToMPI/bin/mpif90
in the following lines). Check that you have the wget utility and that
it is able to connect to the rest of the world.

2) download the abinit-5.8.4p, untar it, cd to abinit-5.8.4 root
direcory and create a build directory with a mkdir tmp-build (for
example). cd to that build directory and invoke a ../configure
--prefix=/AbinitInstallationDir --enable-64bit-flags --enable-mpi
--with-mpi-prefix=/PathToMPI
Does configure go up to the end? If no check config.log for details and
copy the relevant part when asking for help.

3) try a make. Does it goes up to the end? If no, copy the the error
messages when asking for help.

4) cd tests and make tests_min. Look at the */*/reports. Do you see a
lot of "passed" or "succeed" tests. In case of "failed", look at the
corresponding .out and diff files for explanations ... and copy the
relevant part when asking for help.

5) make install will copy your Abinit to
/AbinitInstallationDir/abinit/5.8/...

Kind regards,

Alain

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