NCORE, NPAR

[Hitanshu Sachania]

Hello all, please help me with the following error:

|      For optimal performance we recommend to set                            

|      NCORE= 4 - approx SQRT( number of cores)                             

|      NCORE specifies how many cores store one orbital (NPAR=cpu/NCORE).     

|      This setting can  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 GW and RPA calculations.

|      (for HF NCORE is supported but not extensively tested yet)

Number of cores I use = 40

Then wouldn't NCORE become negative?

Sincerely,

Hitanshu Sachania

Indian Institute of Technology Madras

[KK]

Sorry for very late response...

of-late out of touch with the group .

hope you resolved the issue. if not let me know, will try to explain.

Regards

[Hitanshu Sachania]

Resolved the issue. Thank you.