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
