> Message-ID: <1342541146.16360.64.camel at fe12lx.fisica.uniud.it> > are we talking about RAM, or about CPU, or both, and in which > subroutine exactly? To save CPU time it gets a RAM problem because this is the limiting factor. > it was done in this way because the Ewald part has never been a > serious problem for anybody until now. It looks like it is in my case. > sure there is, but you need to locate exactly where too much cpu time > is spent and where too much RAM is required. Then, we can discuss > about possible solutions. P. I attached a graphic of the RAM usage for an "-npool 8" calculation and added the output file named after the time stamp from the graphic. I can't tell you more than it takes almost three days to print the line " PHONON : 2d 18h22m CPU 2d 21h55m WALL" and it uses 4 times more RAM than in the scf iterations afterward. Unfortunately the scaling is not very good: > With 16 cores it takes "3d > 6h" and on 32 cores it takes "2d 16h" and I have only 5 days on that > cluster for one job. What is the program doing during this time and can I do it only once and give it as input for the other splited phonon calculations? I tried to use the "-npool" flag, but I can't use it because my RAM is to "small" (64GB+, some nodes have more). To save time I like to put more representations in one job, but because of this time demanding step I get over the time limit of 5 days. So i have to repeat this calculations 450 times instead of once.
Thanks in advance. -- Thomas Gruber Institut f?r Theoretische Physik TU Bergakademie Freiberg Leipziger Str. 23, 09599 Freiberg, Germany Tel: +49 (0)3731 392006 Email:thomas.gruber at physik.tu-freiberg.de -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: 1.out Url: http://www.democritos.it/pipermail/pw_forum/attachments/20120718/897f4b08/attachment-0002.asc -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: 10.out Url: http://www.democritos.it/pipermail/pw_forum/attachments/20120718/897f4b08/attachment-0002.txt -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: 4070.out Url: http://www.democritos.it/pipermail/pw_forum/attachments/20120718/897f4b08/attachment-0003.asc -------------- next part -------------- An embedded and charset-unspecified text was scrubbed... Name: 5360.out Url: http://www.democritos.it/pipermail/pw_forum/attachments/20120718/897f4b08/attachment-0003.txt -------------- next part -------------- A non-text attachment was scrubbed... Name: Li12Si7.0.0.1.1.111.log.png Type: image/png Size: 26554 bytes Desc: not available Url : http://www.democritos.it/pipermail/pw_forum/attachments/20120718/897f4b08/attachment-0001.png