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
