getOnTheFlyPlan...48 x 32 x 32 lines in vasp_gpu out files
Posted: Tue Nov 14, 2023 12:31 pm
I recently compiled vasp_gpu on our Tesla P100-SXM2-16GB Device. The installation was done well without any errors. I have used CUDA 12.3 for the vasp_gpu installation. I have done some test calculations and found that between each electronic minimisation step, there are unknown terms like "getOnTheFlyPlan...48 x 32 x 32". I don't know why these lines appear; because of these lines, my slurm-***.out files taking so much storage space to write. I have counted the number of lines in between the first two electronic steps. There were 35911 lines were there. I have given an example slurm-out file below. Any other information needed I will give. Please Help me with this issue.
vasp.6.2.1 16May21 (build Nov 14 2023 12:14:13) complex
POSCAR found type information on POSCAR MnAs
POSCAR found : 2 types and 4 ions
-----------------------------------------------------------------------------
| |
| ----> ADVICE to this user running VASP <---- |
| |
| You have a (more or less) 'small supercell' and for smaller cells |
| it is recommended to use the reciprocal-space projection scheme! |
| The real-space optimization is not efficient for small cells and it |
| is also less accurate ... |
| Therefore, set LREAL=.FALSE. in the INCAR file. |
| |
-----------------------------------------------------------------------------
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
creating 32 CUDA streams...
creating 32 CUFFT plans with grid size 48 x 32 x 32...
FFT: planning ...
WAVECAR not read
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
vasp.6.2.1 16May21 (build Nov 14 2023 12:14:13) complex
POSCAR found type information on POSCAR MnAs
POSCAR found : 2 types and 4 ions
-----------------------------------------------------------------------------
| |
| ----> ADVICE to this user running VASP <---- |
| |
| You have a (more or less) 'small supercell' and for smaller cells |
| it is recommended to use the reciprocal-space projection scheme! |
| The real-space optimization is not efficient for small cells and it |
| is also less accurate ... |
| Therefore, set LREAL=.FALSE. in the INCAR file. |
| |
-----------------------------------------------------------------------------
LDA part: xc-table for Pade appr. of Perdew
POSCAR, INCAR and KPOINTS ok, starting setup
creating 32 CUDA streams...
creating 32 CUFFT plans with grid size 48 x 32 x 32...
FFT: planning ...
WAVECAR not read
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32
getOnTheFlyPlan...48 x 32 x 32