Re: [Pw_forum] QE-GPU problems.

2017-01-01 Thread Filippo SPIGA
On Dec 30, 2016, at 3:48 AM, Oliver Generalao wrote: > The only catch, which Mr Spiga always points out, is that the DP performance > on GTX cards is very slow , which is like 1/32 (or 1/24) of the Single > Precision So GTX 1070 is not worth using. A little bit

[Pw_forum] How to ignore small negative phonon frequency

2017-01-01 Thread Subhodip Chatterjee
Dear all, I'm getting a small negative frequency in my phonon calculation, and consequently getting NAN for Tc and related quantities while running lambda.x. I've found a post in the forum (http://www.mail-archive.com/ pw_forum@pwscf.org/msg28237.html) where two probable solutions were suggested.

Re: [Pw_forum] problem about inputfile

2017-01-01 Thread Amer Hamzaoui
Dear Nasim you wrote "ATOMIC POSITIONS" the wrong way. **Department of physics ufas Algeria ** Le Dimanche 1 janvier 2017 16h30, Ari P Seitsonen a écrit : Dear Nasim,   Spelling of 'POSITIONS' maybe...?     Greetings from Paris,        

Re: [Pw_forum] QE-GPU problems.

2017-01-01 Thread Konrad Gruszka
Hello Oliver, Many thanks for quick response. According to Your post it seems that You know well what to change and where to do those changes. Could You please provide more informations? Maybe something more specific? Konrad W dniu 30.12.2016 o 04:48, Oliver Generalao pisze: > Hi Konrad, > >

Re: [Pw_forum] problem about inputfile

2017-01-01 Thread ashkan shekaari
ATOMIC_POSITIONS, not ATOMIC_*POSITITONS* Regards, Ashkan *Ashkan Shekaari* Plasma Physics Research Center Science and Research Branch I A U, 14778-93855 Tehran, Iran. On Sun, Jan 1, 2017 at 7:29 PM, Pascal Boulet wrote: > Hello, > > There is a $ instead of & before

Re: [Pw_forum] problem about inputfile

2017-01-01 Thread Pascal Boulet
Hello, There is a $ instead of & before IONS, maybe… Pascal Le 1 janv. 2017 à 16:16, Nasim Ha a écrit : > I want run pw.x but it stopped with this eroor : Error in routine > read_cards_pw (1): > atomic position info missing > I insert inputfile. > -- > N.H.Jazi

Re: [Pw_forum] problem about inputfile

2017-01-01 Thread Ridwan Agbaoye
Please check how you spell the atomic position in ATOMIC POSITION CARD that shoud help Agbaoye Ridwan OlamideCMP_Network Unaab Federal University of Agriculture, Abeokuta On Sunday, January 1, 2017 4:17 PM, Nasim Ha wrote: I want run pw.x but it stopped with this

Re: [Pw_forum] problem about inputfile

2017-01-01 Thread Ari P Seitsonen
Dear Nasim, Spelling of 'POSITIONS' maybe...? Greetings from Paris, apsi -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=- Ari Paavo Seitsonen / ari.p.seitso...@iki.fi / http://www.iki.fi/~apsi/ Ecole Normale Supérieure (ENS), Département de

[Pw_forum] problem about inputfile

2017-01-01 Thread Nasim Ha
I want run pw.x but it stopped with this eroor : Error in routine read_cards_pw (1): atomic position info missing I insert inputfile. -- N.H.Jazi PhD student of Physics. Physics Department,Central Tehran Branch,Islamic Azad University,Tehran,88074907,Iran. 2polyaniline.pw-in