Dear Pari, > I have been sending emails for months to all the QE email address, but > nobody >sent a reply yet, > > although I subscribed for the forum.
Please just let me tell you that nobody from the forum is obliged to answer any question, there are only volunteers. If one has time and have an experience with the similar problem then he can share with this info. Regarding the problem: have you tried using a smaller k-points set? How big is your structure? Have you tried different compilers? Bests, Eyvaz ------------------------------------------------------------------- Prof. Eyvaz Isaev, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com ________________________________ From: pari shok <[email protected]> To: q-e-developers at qe-forge.org Cc: eyvaz_isaev at yahoo.com Sent: Tue, February 8, 2011 5:11:54 PM Subject: pp.x and dos.x crashes with "memory allocation" Dear All, I have a problem and I really really appreciate if anybody could help me. I downloaded QE in two machines: intel (R) pentium (R) 4 cpu 3 GHz with total memory 2GB, and intel (R) core (TM) i7 cpu 870 @2.93 GHz, with 4GB total memory. everything is working perfectly well with the first machine (with espresso-4.1.2), but dos.x and pp.x both crash with "out of memory/ memory allocation" error in the second machine for big structures (espresso-4.2.1 and espresso-4.2). It should be noted that pw.x works properly and the "memory allocation" error happens just for dos and post processing. I downloaded ATLAS and modified "make.sys" accordingly but it didn't help. I used "ulimit -s unlimited" command, it didn't help either. I have been sending emails for months to all the QE email address, but nobody sent a reply yet, although I subscribed for the forum. I would be thankful if anyone of you could help me in this regard. Thanks a lot. Pari Shok, PhD candidate UMD -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110208/1da46f46/attachment-0001.htm
