Re: [Wien] Parallel run problems with version 19.1

mpiled with the same compiler as wien2k ?? >> >> >> Am 22.07.2019 um 20:45 schrieb Ricardo Moreira: >> > I had it at 4 as per the default value suggested during configuration >> > but I changed it to 1 now. In spite of that, "x lapw0 -p" still did no

Re: [Wien] Parallel run problems with version 19.1

.cshrc > file? If yes and the value is greater than 1, then set it to 1 and > execute agian "x lapw0 -p". > > On Monday 2019-07-22 18:39, Ricardo Moreira wrote: > > >Date: Mon, 22 Jul 2019 18:39:45 > >From: Ricardo Moreira > >Reply-To: A Mailing l

Re: [Wien] Parallel run problems with version 19.1

hat by executing "x lapw0 -p" on the command > line? > > On Monday 2019-07-22 17:45, Ricardo Moreira wrote: > > >Date: Mon, 22 Jul 2019 17:45:51 > >From: Ricardo Moreira > >Reply-To: A Mailing list for WIEN2k users < > wien@zeus.theochem.tuwien.ac.

Re: [Wien] Parallel run problems with version 19.1

The command "ls *vsp*" returns only the files "TiC.vspdn_st" and "TiC.vsp_st", so it would appear that the file is not created at all when using the -p switch to runsp_lapw. On Mon, 22 Jul 2019 at 16:29, wrote: > Is the file TiC.vspup emtpy? > > On M

Re: [Wien] Parallel run problems with version 19.1

Hi and thanks for the reply, Regarding serial calculations, yes in both non spin-polarized and spin-polarized everything runs properly in the cases you described. As for parallel, it fails in both cases, with the error I indicated in my previous email. Best Regards, Ricardo Moreira On Mon, 22

[Wien] Parallel run problems with version 19.1

d by deleting the aforementioned line (and indeed it was). Whether or not this could possibly be related to the issues I'm having now, I have no idea, so I felt it right to point out. Thanks in advance for any assistance that might be provided. Best Regards, Ricardo Moreira