Re: [Pw_forum] Parallel Execution

Hi Reply to Manu Hedge: I have been using a windows platform computer. It is run on windows 7 enterprise version. Reply to Dr. Axel Kohlmeyer: I faced no problem with mpich2 before. I am facing them now. I saw your documentation at QE website and followed the first command: m p i e x e c - l

Re: [Pw_forum] Parallel execution

On Wed, Oct 5, 2016 at 10:17 AM, Kanak Datta wrote: > Dear researchers > > I have been facing problem while running quantum espresso in parallel > format. I have been using the code: > > mpiexec -localonly -np 8 pw Si.scf.out i don't think that this exact command line

Re: [Pw_forum] Parallel execution

Are you using personnel laptop or cluster?. > Try mpirun -np 8 pw.x scf.out > > > > > > > On Wednesday, October 5, 2016, Kanak Datta > wrote: > >> Dear researchers >> >> I have been facing problem while running quantum

[Pw_forum] Parallel execution

Dear researchers I have been facing problem while running quantum espresso in parallel format. I have been using the code: mpiexec -localonly -np 8 pw Si.scf.out The code seemed to work fine. However, when I run the same code now, I get the following message: Unknown option: -localonly I am

Re: [Pw_forum] [Pw_Forum] Parallel execution and configuration issues

Hello Nicola I am very interested in that aiida workflow. Thx much for the offer to share it. Kirk On Sep 20, 2016 4:05 AM, "nicola varini" wrote: > Dear Konrad, as Alex suggested the MPI only configuration might be the > best in your case. > However, if you would like

Re: [Pw_forum] [Pw_Forum] Parallel execution and configuration issues

Dear Konrad, as Alex suggested the MPI only configuration might be the best in your case. However, if you would like to run on bigger machines or newer hardware like KNL processor it's important to understand how OpenMP performs as well. To this end, by using the AiiDA

Re: [Pw_forum] [Pw_Forum] Parallel execution and configuration issues

Dear Stefano and Axel, Thank you very much for your answers. In fact, the 'silly' mistake was in confusing OpenMP with OpenMPI! (just like Axel suggested) - now it seems so clear. I'll now stick with OpenMPI or Hydra only (both did work fine within one machine) and just try to configure it

Re: [Pw_forum] [Pw_Forum] Parallel execution and configuration issues

On Mon, Sep 19, 2016 at 6:01 AM, Konrad Gruszka wrote: > Dear colleagues, > > I'm Writing to our community to clarify once and for all issues with > parallel pwscf execution. > > By lecture of PWSCF manual, I know that there are several levels of > parallelization, including

Re: [Pw_forum] [Pw_Forum] Parallel execution and configuration issues

Dear Konrad to my understanding OpenMP can be used when parallelizing within a multicore node. It needs shared memory between the cores so can't/shouldn't be used to parallelize across different nodes. MPI does not need shared memory and can be used both inside a multicore node and across

[Pw_forum] [Pw_Forum] Parallel execution and configuration issues

Dear colleagues, I'm Writing to our community to clarify once and for all issues with parallel pwscf execution. By lecture of PWSCF manual, I know that there are several levels of parallelization, including FFTW and more. At the same time, I'm quite sure that most of beginner QE users do

Re: [Pw_forum] Parallel Execution

2015 1:38 PM To: PWSCF Forum Subject: Re: [Pw_forum] Parallel Execution Dear Amir , For MPI, the command is mpirun -np 4 pw.x -inp scf.in<http://scf.in> |tee scf.out or mpirun -np 4 pw.x <scf.in<http://scf.in>> scf.out Bests 2015-10-27 21:28 GMT+02:00 Mofrad, Amir Mehdi (MU-Stud

Re: [Pw_forum] Parallel Execution

It is often like that, but the exact way of launching a parallel code depends upon the MPI software installed on a specific machine. Usage of "mpisomething pw.x < file" is deprecated, "mpisomething pw.x -i file" (or -in, or -inp) is safer. Paolo On Tue, Oct 27, 2015 at 8:38 PM, Bahadır

Re: [Pw_forum] Parallel Execution

Dear Amir , For MPI, the command is *mpirun -np 4 pw.x -inp scf.in |tee scf.out * or *mpirun -np 4 pw.x http://scf.in>> scf.out* Bests 2015-10-27 21:28 GMT+02:00 Mofrad, Amir Mehdi (MU-Student) < am...@mail.missouri.edu>: > Dear all, > > I want to run my scf calculations on 4

[Pw_forum] Parallel Execution

Dear all, I want to run my scf calculations on 4 processors. Can anyone tell me what the appropriate prompt (command) is? I myself use: mpiexec -n 4 pw.x output But it takes forever and does not stop (it looks as if it's being idle). Thank you in advance. Amir M. Mofrad

[Pw_forum] parallel execution

Dear Sakhraoui, your request is a bit odd and confusing... Are you looking for a script that run a parallel job using Quantum ESPRESSO multiple times with different input configuration or are you looking for a way to convert a VASP input into a Quantum ESPRESSO one? F -- Mr. Filippo SPIGA,

[Pw_forum] parallel execution

Dear all, I actually did some calculations with my pc and i passed another group that they are creating an account for me on a machine (Parallel calculation). I saw an example of a script they use, rely on input (using the code VASP). My question is how can i write a script that i can "call"

[Pw_forum] parallel execution of PWscf

06:10 +0530 (IST) > Subject: [Pw_forum] parallel execution of PWscf > Hi > I am using LG Quad core processor machine with PWscf running on linux. I > want to know whether there is any command to run it parallely on the four > processors or by default with simple installation (i.e., ./conf

[Pw_forum] parallel execution of PWscf

Hi I am using LG Quad core processor machine with PWscf running on linux. I want to know whether there is any command to run it parallely on the four processors or by default with simple installation (i.e.,? ./configure and make all) it uses all the four processors? ? Neel University of Delhi