Re: [Wien] Error in parallel calculation

Hi Peter, thanks Do you mean: 1:localhost 1:localhost 1:localhost 1:localhost omp_global:4 omp_lapw1:2 granularity:1 extrafine:1 Victor ‫בתאריך יום ב׳, 23 באוק׳ 2023 ב-12:45 מאת ‪Peter Blaha‬‏ <‪ peter.bl...@tuwien.ac.at‬‏>:‬ > Most likely, you run out of memory. > > You have just 32

Re: [Wien] Error in parallel calculation

Most likely, you run out of memory. You have just 32 GM Ram. I suggest to use only 4 k-parallel jobs and omp_lapw1:2. This will anyway run as fast as 8*1 jobs. While  lapw1 is running, use "top"  to see its memory/cpu consumption. Am 23.10.2023 um 11:37 schrieb Victor Zenou: Dear Wien2k

[Wien] Error in parallel calculation

Dear Wien2k users! I’m investigating a 54 tungsten atoms supercell (3x3x3), with 1 helium atom (primitive cell) at different interstitial sites. I tried a parallel job with 8 cores, which worked for me in the past for another case in the same system. In *.machines file I used the following: