[Pw_forum] Parallel on QuadCore

on node n0). Thanks. Nay Lin -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100226/3da372a9/attachment.htm

[Pw_forum] hi everyone

ckel.save -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100226/0e55f50d/attachment.htm

[Pw_forum] Problem with nscf calc. in elongated supercell

Hi there, I got some interesting problem troubling me for some time. I am going to calculate huge silicon supercells, therefore I am going step by step to larger supercells (lowering the symmetries) to check convergencies, before I am going to calculate the heavy perturbed system afterward

[Pw_forum] hi everyone

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[Pw_forum] hi everyone

Please allow me a few more words to suggest you how to improve your posts on this forum: 1. use a more informative title in your email subject (related to the content of the email) 2. you can show small quantities of input/output data directly in the body of the mail, without using attachment

[Pw_forum] hi everyone

Dear George, negative rho (up, down): 0.123E-03 0.775E-04 total stress (Ry/bohr**3) (kbar) P= -278.63 -0.00189412 0. 0. -278.63 0.00 0.00 0. -0.00189412 0. 0.00 -278.63 0.00

[Pw_forum] Parallel on QuadCore

Nay Lin ha scritto: > Dear users, > > i compiled mpi version pwscf 4.1.2 on quad core. with ubuntu linux > ./pw.x shows "Parallel Version (MPI)". > In make.sys, DFLAGS contains -D__MPI and -D_PARA. > I have mpirun installed. > > may i know what is the complete mpirun command to initiate the

[Pw_forum] Parallel on QuadCore

Nay Lin wrote: > mpirun did not invoke MPI_INIT before quitting (it is possible that > more than one process did not invoke MPI_INIT -- mpirun was only > notified of the first one, which was on node n0). that's all for the notice from output error? I guess the output error has more detail.

[Pw_forum] Installation of QE on 20-processor MAC XServe cluster

Dear Mark, from my experience I would say that there is not much difference in installing QE on a multicore Mac with OSX or on a Linux machine if the environment is sane and properly configured (including shell, compilers, libraries, MPI, ...). At least I have tried on a dual core Macbook w

[Pw_forum] Installation of QE on 20-processor MAC XServe cluster

ailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100226/effd56e2/attachment.htm

[Pw_forum] permission denied while using pw.x

Dear Elie, Did you compile PWSCF in cygwin or are you trying to use a precompiled binary? The binaries compiled are not interoperable between different kernels (i.e. you can not copy a binary from "linux" to "windows"), and CYGWIN is just a compilation of GNU tools for windows kernel, it is not "l