Re: [Wien] wien2k installation: XSEDE

2019-11-04 Thread Gavin Abo
Of note, if the XSEDE in your subject line uses slurm as in the documentation here: https://portal.xsede.org/documentation-overview#compenv-jobs You likely need the SLURM_JOB_NODELIST variable as given in your slurm documentation.  For example, the slurm documentation (currently Version 19.05

Re: [Wien] wien2k installation: XSEDE

2019-11-04 Thread Gavin Abo
Comments: Edison does look retired [1]. Based on the usage of hostname in Bushra's job file (below), it looks like that is configured for a shared memory super computer. However, if the super computer is not a shared memory (single node) system but a distributed memory (multiple node) system

Re: [Wien] wien2k installation: XSEDE

2019-11-04 Thread Dr. K. C. Bhamu
Dear Bushra, I hope you are using the same cluster you are using before (NERSC: cori/edison). >From your job file it seems that you want to submit job on edison (28 cores). Please make sure that edison is still working. My available information says that edison has retired now. Please confirm from

Re: [Wien] wien2k installation: XSEDE

2019-11-03 Thread Peter Blaha
What means: " does not work" ?? We need details. On 11/3/19 10:48 PM, BUSHRA SABIR wrote: Hi experts, I am working on super computer with WIEN2K/19.1 and using the following job file, but this job file is not working for parallel run of LAPW1. Need help to improve this job file. #!/bin/bash

[Wien] wien2k installation: XSEDE

2019-11-03 Thread BUSHRA SABIR
Hi experts,I am working on super computer with WIEN2K/19.1 and using the following job file, but this job file is not working for parallel run of LAPW1.  Need help to improve this job file.#!/bin/bash#SBATCH -N 1#SBATCH -p RM#SBATCH --ntasks-per-node 28#SBATCH -t 2:0:00# echo commands to stdout#