I am no expert here, but it looks like you are attempting to run on a parallel machine. Not a great idea. ld1 can run on cell phone, these days ... SB
On Jul 23, 2011, at 10:45 AM, Robin H wrote: > Hi,everyone.I have tried many times to creat the PP of Zn,but the problems > come out everytime.Even if I correct the one,then there will be anthoer.Zn is > one of the transition iron atom,and I'm not sure my input items are all > proper for it.This is my input file for ld1.x .And the next is the wrong > information.I need some help. > input : > &input > title='Zn' > zed=30. > rel=1, > config='[Ar] 3d10.00 4s1.00 4p1.00', > iswitch=3, > dft='revPBE' > / > &inputp > lloc=2, > pseudotype=3, > file_pseudopw='Zn.revPBE.UPF', > author='ADC', > / > 6 > 3D 3 2 10.00 0.00 1.80 2.00 > 3D 3 2 0.00 0.05 1.80 2.00 > 4S 1 0 1.00 0.00 1.80 2.00 > 4S 1 0 0.00 0.05 1.80 2.00 > 4P 2 1 1.00 0.00 1.80 2.10 > 4P 2 1 0.00 0.05 1.80 2.10 > > > wrong information : > Program LD1 v.4.3.1 starts on 23Jul2011 at 16:29: 5 > This program is part of the open-source Quantum ESPRESSO suite > for quantum simulation of materials; please cite > "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); > URL http://www.quantum-espresso.org";, > in publications or presentations arising from this work. More details at > http://www.quantum-espresso.org/wiki/index.php/Citing_Quantum-ESPRESSO > Parallel version (MPI), running on 1 processors > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > from ld1_readin : error # 1 > only one local channel > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > stopping ... > [unset]: aborting job: > application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110723/2226c147/attachment.htm
