Dear Ashkan, Thats really sad news for me. :( I was planning to build a raspberry pi cluster (with 512MB RAM on each board) for QE. But now it seems I might waste my money making it. Ashkan how about studying molecules with QE? As far as I read, we use 1x1x1 k-point (Gamma) only for studying them. Please give your comments on molecule study. Say I need to study magnetic, optical and DOS of molecules. Then is my system sufficient?
Regards, On Wed, Jul 23, 2014 at 11:39 AM, ashkan shekaari <shekaari at gmail.com> wrote: > dear Siddheshwar > i ran with 1,2, 8, 32, 48, 120 cores , but all had the same failed result. > > On 7/23/14, siddheshwar chopra <sidhusai at gmail.com> wrote: > > Dear Ashkan, > > I don't know if I am correct, but you could try reducing the number of > > cores. This way I guess you will have more RAM to be used per core. > > > > Regards, > > > > > > On Wed, Jul 23, 2014 at 10:47 AM, ashkan shekaari <shekaari at gmail.com> > > wrote: > > > >> dear siddheshwar > >> > >> i ran a supercell system made of 48 atoms on a computer server with > >> 120 cores and 6 GB of RAM , but it didn't work . my calculations > >> failed , it needs more than 6 GB of RAM . > >> > >> On 7/23/14, siddheshwar chopra <sidhusai at gmail.com> wrote: > >> > Dear Ashkan, > >> > How much large RAM do you mean? Is it 4GB in total or more? I can add > >> > another 2GB hence. > >> > > >> > Regards, > >> > > >> > > >> > On Wed, Jul 23, 2014 at 6:50 AM, ashkan shekaari <shekaari at gmail.com> > >> > wrote: > >> > > >> >> yes , but you can not run any supercell calculations or defected > >> >> systems > >> >> . > >> >> > >> >> for these calculations you should have a large amount of memory (RAM) > >> >> . > >> >> > >> >> On 7/22/14, siddheshwar chopra <sidhusai at gmail.com> wrote: > >> >> > Dear Users, > >> >> > I am new to QE and really need an estimate about the computational > >> >> > resources needed to run magnetic, phonon, optical and band > structure > >> >> > calculations for light, medium and heavy atoms of around 60 atoms > >> >> > supercell. I currently have a dual core 2.7 GHz processor with 2GB > >> RAM, > >> >> > HDD=250GB. Please suggest me so that I can run calculations without > >> any > >> >> > memory of processor issues. > >> >> > I have Windows XP and also Linux mint installed on the same > machine. > >> >> > I > >> >> have > >> >> > also increased the virtual memory per partition. > >> >> > I also now how to make an external USB drive work as system RAM. > >> >> > Will > >> >> that > >> >> > help me? > >> >> > > >> >> > Kind Regards, > >> >> > > >> >> > -- > >> >> > *Dr. Siddheshwar chopra,* > >> >> > > >> >> > > >> >> > *M.Sc., Ph.D (Physics)Assistant Professor (Physics),* > >> >> > *Amity University, Noida, India.* > >> >> > > >> >> > >> >> > >> >> -- > >> >> Best wishes > >> >> Ashkan Shekaari > >> >> _______________________________________________ > >> >> Pw_forum mailing list > >> >> Pw_forum at pwscf.org > >> >> http://pwscf.org/mailman/listinfo/pw_forum > >> >> > >> > > >> > > >> > > >> > -- > >> > *Dr. Siddheshwar chopra,* > >> > > >> > > >> > *M.Sc., Ph.D (Physics)Assistant Professor (Physics),* > >> > *Amity University, Noida, India.* > >> > > >> > >> > >> -- > >> Best wishes > >> Ashkan Shekaari > >> _______________________________________________ > >> Pw_forum mailing list > >> Pw_forum at pwscf.org > >> http://pwscf.org/mailman/listinfo/pw_forum > >> > > > > > > > > -- > > *Dr. Siddheshwar chopra,* > > > > > > *M.Sc., Ph.D (Physics)Assistant Professor (Physics),* > > *Amity University, Noida, India.* > > > > > -- > Best wishes > Ashkan Shekaari > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- *Dr. Siddheshwar chopra,* *M.Sc., Ph.D (Physics)Assistant Professor (Physics),* *Amity University, Noida, India.* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140723/4a9e1b4f/attachment.html
