[Pw_forum] problem

Dear all i tried running turbo_lanczos.x ,but there is this error " turboTDDFT is not extended to metals" thanks -- N.H.Jazi PhD student of Physics. Physics Department,Central Tehran Branch,Islamic Azad University,Tehran,88074907,Iran. 4polyaniline.tddfpt-in Description: Binary data

Re: [Pw_forum] <caaev5eu3xt2f8a+xjjwmwb-glst-ay1wwmfi0zsro9sfvtq...@mail.gmail.com>

Dear Dario yes i have a good reason to change pseudopotentials, because epsilon.x give me this message when i used ULTRASOFT pseudopotential *"USPP are not implemented" *, then i changed type of pseudopotential to norme-conserving to calculat optical properties.

Re: [Pw_forum] Intel Xeon Phi support in QE6.0?

Dear Filippo, Thanks, I refer to the x100 series (PCIe accelerator) KNC. Is this explained at the 2 webpage? which should I follow? 1) https://software.intel.com/en-us/articles/quantum-espresso-for-the-intel-xeon-phi-processor 2)

Re: [Pw_forum] pw.x slurm srun failed with intel mpi?

Dear Filippo, Sorry and I found the solution. 1) sudo apt-get install mpich, 2) srun --mpi-pmi2, 3) mkl and intel related environmental envariables are loaded. I hope this is go help someone having similar problem. Rolly On 01/15/2017 09:32 PM, Filippo SPIGA wrote: > Dear Rolly, > > this

Re: [Pw_forum] Intel Xeon Phi support in QE6.0?

Dear Rolly, On Jan 13, 2017, at 5:23 PM, Rolly Ng wrote: > > I would like to know the latest development in support of the Intel Xeon Phi > accelerator in QE6.0. you need to be a bit more specific: Intel Phi Knight Corner (KNC) or Intel Phi Knight Landing (KNL)? --

Re: [Pw_forum] pw.x slurm srun failed with intel mpi?

Dear Rolly, this mailing-list is about QE, not about fixing people's HPC clusters. I am sorry but you need to find someone in your IT department that can help you on this matter On Jan 15, 2017, at 7:51 AM, Rolly Ng wrote: > I have srun problem on ubuntu 16.04 cluster with