I cant see vasp running in top command
Posted: Wed Jul 24, 2013 12:55 pm
I try to run vasp5 on backend but when i do top it doesnt show vasp in there so i tried running in front end but my process stops with this error
For optimal performance we recommend that you set |
| NPAR = 4 - approx SQRT( number of cores) |
| (number of cores/NPAR must be integer) |
| This setting will greatly improve the performance of VASP for DFT. |
| The default NPAR=number of cores might be grossly inefficient |
| on modern multi-core architectures or massively parallel machines. |
| Do your own testing. |
| Unfortunately you need to use the default for hybrid, GW and RPA |
| calculations.
I am doing example 2_1_fccSi 2_2_fccSi_dos given in tutorials
please help !! i am newbie..pls ignore wrong usage /incorrect description
thank you
For optimal performance we recommend that you set |
| NPAR = 4 - approx SQRT( number of cores) |
| (number of cores/NPAR must be integer) |
| This setting will greatly improve the performance of VASP for DFT. |
| The default NPAR=number of cores might be grossly inefficient |
| on modern multi-core architectures or massively parallel machines. |
| Do your own testing. |
| Unfortunately you need to use the default for hybrid, GW and RPA |
| calculations.
I am doing example 2_1_fccSi 2_2_fccSi_dos given in tutorials
please help !! i am newbie..pls ignore wrong usage /incorrect description
thank you