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 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 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: > > 1:localhost > > 1:localhost > > 1:localhost > > 1:localhost > > 1:localhost > > 1:localhost > > 1:localhost > > 1:localhost > > granularity:1 > > extrafine:1 > > omp_global:8 > > omp_lapw1:1 > > omp_lapw2:1 > > I got error at the first cycle. The lapw1.error file showed: > > ** Error in Parallel LAPW1 > > ** LAPW1 STOPPED at Mon 18 Sep 23:22:37 IDT 2023 > > ** check ERROR FILES! > > Error in LAPW1 > > Error in LAPW1 > > Error in LAPW1 > > Error in LAPW1 > > Out of 8 cores (lapw1_1 to lapw1_8), 4 showed error: > > lapw1_1.error > > lapw1_3.error > > lapw1_4.error > > lapw1_6.error > > All showed: Error in LAPW1 > > I’m using WIEN2k_23.2 on a computer built with i7-10700 processor @ > 2.90GHz (8 cores; 16 Threads), 32 GB memory and 500 GB SSD. > > Best regards, Victor > > _______________________________________________ > Wien mailing > listw...@zeus.theochem.tuwien.ac.athttp://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > > -- > ----------------------------------------------------------------------- > Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna > Phone: +43-158801165300 > Email: peter.bl...@tuwien.ac.at > WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at > ------------------------------------------------------------------------- > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
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