[Pw_forum] error # 1 no scalar fft driver specified
anikmondol1206089 at gmail.com
Sun Oct 15 11:07:34 CEST 2017
Dear QE Users,
I am new to Quantum Espresso. My research focuses on optoelectronic
properties observation of GaN nanowire.I need to get the band-structure of
nanowire. As I am new to QE, I need to simulate a nanowire in qe, Now,
Nanowires are 1D. Quantum espresso calculates actually periodic crystal.
How can I prepare an input file for my nanowire ? Could you please anyone
help me with some insight or example files maybe ? Or any suggestion on any
specific GUI ?
On Sun, Oct 15, 2017 at 12:11 PM, Rajesh <creativeidleminds at gmail.com>
> Dear Prof Paulatto ,
> Than you for your response. I need to use qe for openmpi as well openmp
> but on separate workstations. I think openmp works better on multi-cpu pc
> and openmpi on multi node clusters. I am right?
> Thank you.
> On Sun, Oct 15, 2017 at 12:42 AM, Lorenzo Paulatto <paulatz at gmail.com>
>> On 14/10/17 09:15, Rajesh wrote:
>> > Dear Prof Giannozzi,
>> > Thank you for your reply. But I need openmpi parallelization.
>> openmpi is NOT OpenMP, the former is an open-source implementation of
>> MPI, the later is shared-memory vectorization based on compile-time
>> instructions. The first is required to run in parallel, you need both
>> for huge number of CPUs.
>> What do you need exactly ?
>> Lorenzo Paulatto - Paris
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
> Pw_forum mailing list
> Pw_forum at pwscf.org
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