[ase-users] << running ASE problem with Intel MKL >>

[I. Camps]

Hello all,

I have been using ASE locally for a short time.

Now, I installed in a computer facility to run it using PBS system.

After installed ASE (3.6.0) I tried to run the "testase.py" script and get
the following error:

<ase-users at listserv.fysik.dtu.dk>MKL FATAL ERROR: /usr/local/intel/cmkl//
10.0.3.020/lib/64/libmkl_i2p.so: undefined symbol: i_free

This error also appear when running the Si example from the ASE site (using
SIESTA calculator).

Do you have any idea how to solve this problem?

Best regards,

Camps

PD: the SIESTA code runs alone without any error.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20120928/85b56bdd/attachment.html>