[Wien] Fwd: Error while parallel run

2012-07-30 Thread 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 how many k-points?)? rgds, -- next part -- An HTML attachment was scrubbed... URL:

[Wien] Fwd: Error while parallel run

2012-07-30 Thread Peter Blaha
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

[Wien] Fwd: Error while parallel run

2012-07-30 Thread alpa dashora
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

[Wien] Fwd: Error while parallel run

2012-07-30 Thread alpa dashora
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