Re: [QE-users] Problem with Parallelization of Hp.x

2022-12-02 Thread Jamie Holber
urii > > -- > Dr. Iurii TIMROV > Senior Research Scientist > Theory and Simulation of Materials (THEOS) > Swiss Federal Institute of Technology Lausanne (EPFL) > CH-1015 Lausanne, Switzerland > +41 21 69 34 881 > http://people.epfl.ch/265334 > From: Jamie Holber > Sent

Re: [QE-users] Problem with Parallelization of Hp.x

2022-12-02 Thread Jamie Holber
rb_only_atom(5) = .true. -> outdir1 > HP run 2 : perturb_only_atom(6) = .true. -> outdir2 > ... > > HTH > > Iurii > > -- > Dr. Iurii TIMROV > Senior Research Scientist > Theory and Simulation of Materials (THEOS) > Swiss Federal Institute of Technology Lau

Re: [QE-users] Problem with Parallelization of Hp.x

2022-12-02 Thread Jamie Holber
nd Simulation of Materials (THEOS) > Swiss Federal Institute of Technology Lausanne (EPFL) > CH-1015 Lausanne, Switzerland > +41 21 69 34 881 > http://people.epfl.ch/265334 <http://people.epfl.ch/265334> > From: Jamie Holber > Sent: Friday, December 2, 2022 4:45:13 PM > To: I

Re: [QE-users] Problem with Parallelization of Hp.x

2022-12-02 Thread Jamie Holber
witzerland > +41 21 69 34 881 > http://people.epfl.ch/265334 <http://people.epfl.ch/265334> > From: users on behalf of Jamie > Holber > Sent: Thursday, December 1, 2022 9:03:19 PM > To: users@lists.quantum-espresso.org > Subject: [QE-users] Problem with Par

[QE-users] Problem with Parallelization of Hp.x

2022-12-01 Thread Jamie Holber
tempdir/HP/LFP.dwfc11" %%%%%% Thank you, Jamie Holber University of Michigan ___ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country an