| Re: Unable to do NEGF calculaton on the tutorials ( No.1 )|
- Date: 2018/01/19 14:46
- Name: Yung-Ting Lee <email@example.com>
- Dear Prashant,
(1) After following your steps to run these two jobs, I find that the error message in the second step is " can not open ./lead-graphene.hks " in the NEGF-Graphene.out file. So, I copy lead-graphene.hks from Lead-Graphene folder to NEGF-Graphene folder. Then, I can perform this "NEGF-Graphene" job successfully.
Just check the error message(s) in *.out file if you can't run jobs correctly.
(2) The command I used for running OpenMX calculations is
" openmx NEGF-Graphene.dat > NEGF-Graphene.out & "
" mpirun -np 4 openmx NEGF-Graphene.dat > NEGF-Graphene.out & "
for your reference.
| Re: Unable to do NEGF calculaton on the tutorials ( No.2 )|
- Date: 2018/01/24 14:47
- Name: Prashant
- Dear Yung,
Thank you for the trick. It worked!