Re: [Wien] Wien2k-parallel calculation

2017-03-01 Thread Gavin Abo
do that. Now I change my script as "runsp_lapw -p -ec 0.001" Please let me know whether that is correct? Thank you for your attention Chami On Tue, 2/28/17, Gavin Abo wrote: Subject: Re: [Wien] Wien2k-parallel calculation To: "

Re: [Wien] Wien2k-parallel calculation

2017-03-01 Thread shaymlal dayananda
nk you for your attention Chami On Tue, 2/28/17, Gavin Abo wrote: Subject: Re: [Wien] Wien2k-parallel calculation To: "A Mailing list for WIEN2k users" Date: Tuesday, February 28, 2017, 7:23 AM I'm doubtful that anyone can help with

Re: [Wien] Wien2k-parallel calculation

2017-02-28 Thread Gavin Abo
I'm doubtful that anyone can help with the information that you have provided. I assume those scripts like qsub168h_1c are calling your optimize.job file. If I remember correctly, the default optimize.job is generated from a template for a serial calculation. The first thing to check would

[Wien] Wien2k-parallel calculation

2017-02-27 Thread shaymlal dayananda
Dear developers I am using WIEN2k module which I am using is in a supercomputer located elseware and I remotely use it. I don't have a way to create my own machine files, instead I use prepared machine files by them. They have linked those scripts to my interface with different options. (such as