[Pw_forum] graphite cell optimization failed

[Eric Germaneau]

I'm running it on parallel on a single quad core intel processor.

Here is how I built QE:

make clean
export FFLAGS="-ffast-math -m64 -march=core2 -mtune=core2 
-ftree-vectorize -O3"
export CFLAGS=$FFLAGS
./configure --with-internal-blas --with-internal-lapack #--enable-openmp
make all

Here is how I execute it:

mpiexec -n $NPROC $EXEC < 02_graphite.vcrelax.in > 02_graphite.vcrelax.out

with $NPROC=4.

I did the same thing with the previous version and did not get any issue.
Thanks,

                       Eric.

On 03/25/2011 03:25 AM, Paolo Giannozzi wrote:
> On Mar 25, 2011, at 12:17 , Eric Germaneau wrote:
>
>> That's my be something obvious for experts but not yet for me.
> it is not obvious at all: it is an internal error that should never show
> up. Please provide the input that produces such an error and
> specify if you run in parallel, and on how many processors
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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-- 
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---

Dr. Éric Germaneau <mailto:germaneau at gucas.ac.cn>

College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China

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