[Wien] error in parallel lapw2

[Gavin Abo]

Are you using the NERSC cluster mentioned at:

http://www.nersc.gov/users/software/applications/materials-science/wien2k/

If so, I see:

Need Help?

Consulting and questions

https://help.nersc.gov
1-800-66-NERSC, option 3
or 510-486-8613 Monday - Friday 8-5 Pacific

It should be better to ask that cluster help desk if that is the case.

The error says "srun: error: No hardware architecture specified (-C)!".

Probably you need to add "#SBATCH -C haswell" to the job script or one 
of the other architectures to remove that error as mentioned at:

http://www.nersc.gov/users/computational-systems/cori/running-jobs/batch-jobs/


On 10/20/2018 12:37 PM, Dr. K. C. Bhamu wrote:
> Dear Gavin,
> (updated)
> I am writing on behalf of Ms. Bushra, as she is not able to reply for 
> now, with some test on the same cluster with wien2k version 17.1 and 18.2.
>
> The actual error what she/me see is "/usr/common/nsg/bin/mpirun: 
> Permission denied" which may be solved by cluster admin only.
>
> For Wien2k_17.1 the mpirun was defined as "mpirun -n _NP_ -machinefile 
> _HOSTS_ _EXEC_"
>
> As in one of the thread Prof. Peter suggested to use "ifort + slurm".
>
> Yes, I just installed Wien2k_18.2 at NERSC with ifort+slurm system 
> environment.
>
> and the mpirun command is now "srun -K -N_nodes_ -n_NP_ -r_offset_ 
> _PINNING_ _EXEC_"
>
> But still I face same error.
>
> The error is same and it does't matter if we have mpirun or srun [1]. 
> Only srun and mpirun word changes in the error.
>
>
> In the past I faces same error and cluster admin only could solve so 
> let us first write to cluster admin and will update here the final 
> outcome.
>
> If you have any advice that can help to get rid of this issue please 
> let us know.
>
> [1]
> srun: error: No hardware architecture specified (-C)!
> srun: error: Unable to allocate resources: Unspecified error
> srun: fatal: --relative option invalid for job allocation request
> srun: error: No hardware architecture specified (-C)!
> srun: error: Unable to allocate resources: Unspecified error
> LAO.scf1up_1: No such file or directory.
> grep: No match.
> srun: fatal: --relative option invalid for job allocation request
> srun: error: No hardware architecture specified (-C)!
> srun: error: Unable to allocate resources: Unspecified error
> LAO.scf1dn_1: No such file or directory.
> grep: No match.
> LAPW2 - Error. Check file lapw2.error
> cp: cannot stat '.in.tmp': No such file or directory
> grep: No match.
> grep: No match.
> grep: No match.
>
> >   stop error
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