Re: [Wien] Error in lapw2 running in the LDA+U calculation in parallel mode

annot be found. -- Forwarded message -- From: hassan jamnejad <hassan.jamne...@gmail.com> Date: Fri, Jan 1, 2016 at 11:44 PM Subject: Error in lapw2 running in the LDA+U calculation in parallel mode To: wien@zeus.theochem.tuwien.ac.at Dear Prof. Peter Blaha, I want to do a LDA+U

[Wien] Error in lapw2 running in the LDA+U calculation in parallel mode

Dear Prof. Peter Blaha, I want to do a LDA+U calculation for a compound, First I ran SCF calculation using 4 x 8 (= 32 processors) in my cluster . But the job terminates with the following errors in dayfile: *** LAPW2 crashed!* *1.6u 3.1s 0:07.72 61.7% 0+0k 0+1776io 0pf+0w* *error: command

[Wien] problem in parallel caculation

stop error I will be very grateful for guiding me bout my problem kindly regards Hassan Jamnejad ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http

[Wien] MPI parallel execution take much time than nonparallel on the same case on the multiprosesor single machine

Dear WIEN users, My system has 4cores and I use open MPI 1.2.8-17.4. In addition, I try to use all processors of a single machine. And I think there must be differences between non-MPI usage of a single processor in a quad system and MPI usage of all processor in the same machine. Also is