Dear Prof. Blaha,
As per your suggestion, I am able to run the k-point parallel calculation.
But in case of large systems, about 100 atoms, can I use this technique
(with how many k-points?)?
rgds,
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No. For large cells you have to learn how to configure and use mpi correctly.
Am 30.07.2012 09:21, schrieb alpa dashora:
Dear Prof. Blaha,
As per your suggestion, I am able to run the k-point parallel calculation.
But in case of large systems, about 100 atoms, can I use this technique (with
Thankyou very much.
On Mon, Jul 30, 2012 at 12:58 PM, Peter Blaha
pblaha at theochem.tuwien.ac.atwrote:
No. For large cells you have to learn how to configure and use mpi
correctly.
Am 30.07.2012 09:21, schrieb alpa dashora:
Dear Prof. Blaha,
As per your suggestion, I am able to run the
Dear Mr./Dr. Gavin,
After editing the .machines file, the openmpi1.3 gives the same error as
mentioned in the last mail, therefore I have installed new version 1.4.5,
but it doesn't work.
On Mon, Jul 30, 2012 at 1:51 PM, Gavin Abo gsabo at crimson.ua.edu wrote:
Previously, you were supposedly
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