See
https://software.intel.com/en-us/forums/intel-math-kernel-library/topic/590302
If that does not work, search
https://www.google.com/search?q=Cannot+load+symbol+MKLMPI_Get_wrappers=Cannot+load+symbol+MKLMPI_Get_wrappers=chrome..69i57j69i61.1094j0j4=chrome=UTF-8
Google searching of
Hi,
thanks for the hints but unfortunately it didn’t solve the problem.
Cheers,
Walid
--
Dr.techn. Walid Hetaba
Fritz-Haber-Institut der Max-Planck-Gesellschaft
Department of Inorganic Chemistry
Faradayweg 4-6, 14195 Berlin, Germany
T: +49 30 8413-4412
het...@fhi-berlin.mpg.de
I am not certain if this will work -- worth a try.
Instead of exporting LD_LIBRARY_PATH etc yourself, use the scripts that
Intel provides. These are safer since they keep changing them. For
instance, on my cluster I have
VERS=2015
source /opt/intel/composer$VERS/bin/compilervars.sh intel64
Dear colleagues,
I'm trying to get the parallel version of WIEN2k 14.2 running on the
institute's cluster, but I'm stuck now.
I searched the mailing list for the error message I receive, but at
first glance I did not find relevant postings.
This is the problem I face:
The serial version of
initially my space group is Fm3m => Phonopy needs case.struct with P
lattice to work correctly [1, 2].
[1] https://sourceforge.net/p/phonopy/mailman/message/25001819/
[2] http://atztogo.github.io/phonopy/wien2k.html
On 4/27/2016 2:59 AM, Rajneesh Chaurasiya wrote:
Dear Sir,
I have computed
Dear Sir,
I have computed the phonon spectrum of example of NaCl and SrTiO3
successfully now when i started the new calculation. in that calculation i
construct the case.struct file and after initialization i make a supercell
(2 2 2) and create a displacement then it change change the space
Dear Sir,
I have computed the phonon spectrum of example of NaCl and SrTiO3
successfully now when i started the new calculation. in that calculation i
construct the case.struct file and after initialization i make a supercell
(2 2 2) and create a displacement then it change change the space
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